A0A087XWJ2_POEFO Loading...

Putative E3 ubiquitin-protein ligase UBR7

E3 ubiquitin-protein ligase which is a component of the N-end rule pathway. Recognizes and binds to proteins bearing specific N-terminal residues that are destabilizing according to the N-end rule, leading to their ubiquitination and subsequent degradation.

AlphaFold DB , UniProt , Accession A0A087XWJ2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 419 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	K	34.8	Very low	38.6	Very low	265 Å²	265	167.4 Å²	167.4	100%	1.152	82%	0.82	S	S	*	*				0	90.8	0	-125.2	-179.3	-179.3	-177.3	0	106.3
2	Q	31	Very low	40.5	Very low	196 Å²	196	158.3 Å²	158.3	92%	0.916	79%	0.786	S	S	*	*			trans	-112.9	107.4	-176.9	-151.9	167.1	7	0	0	105.2	R4	Q2-R4 PolarHBondContact O-N 3.45Å
3	V	34.4	Very low	40.9	Very low	126 Å²	126	152.9 Å²	152.9	76%	0.764	76%	0.761	S	S	*	*			trans	-78.6	111.6	174.5	177.2	0	0	0	0	105.5	M5	V3-M5 PolarHBondContact O-N 3.29Å
4	R	33.7	Very low	42.4	Very low	245 Å²	245	147.6 Å²	147.6	93%	0.925	74%	0.741	S	S	*	*			trans	-65.7	109.4	162.4	-90.9	-179.3	170	175.3	-5.2	106.1	Q2	Q2-R4 PolarHBondContact O-N 3.45Å
5	M	33.9	Very low	43.6	Very low	169 Å²	169	143.1 Å²	143.1	83%	0.833	72%	0.72	S	S	*	*	P	Polyproline II helix	trans	-72.8	124.5	163.9	-69.3	-169.2	64.7	0	0	107	V3	V3-M5 PolarHBondContact O-N 3.29Å
6	S	36.6	Very low	44.5	Very low	108 Å²	108	137.5 Å²	137.5	76%	0.755	70%	0.695	S	S	*	*	P	Polyproline II helix	trans	-55.8	131.4	172.3	42	0	0	0	0	109.9	E8	S6-E8 PolarHBondContact O-N 3.34Å
7	E	39.8	Very low	45.4	Very low	188 Å²	188	135.5 Å²	135.5	88%	0.879	69%	0.686	S	S	*	*	P	Polyproline II helix	trans	-59.8	118.6	170.5	-66.2	171.5	154.3	0	0	107.9	Q9	E7-Q9 PolarHBondContact O-N 3.42Å; E7-Q9 VanDerWaalsContact O-N 3.13Å
8	E	40.1	Very low	46.6	Very low	178 Å²	178	133.7 Å²	133.7	83%	0.832	68%	0.675	S	S	*	*			trans	-66.8	109.4	173.2	-73.4	176.6	165.6	0	0	107.7	S6 T10	S6-E8 PolarHBondContact O-N 3.34Å; E8-T10 PolarHBondContact O-N 3.48Å; E8-T10 VanDerWaalsContact O-N 3.16Å
9	Q	40.2	Very low	47.8	Very low	185 Å²	185	132.1 Å²	132.1	86%	0.864	67%	0.665	S	S	*	*			trans	-69.3	106.8	177.9	-159.5	170.7	3.6	0	0	108.1	E7	E7-Q9 PolarHBondContact O-N 3.42Å; E7-Q9 VanDerWaalsContact O-N 3.13Å
10	T	46.6	Very low	48.6	Very low	101 Å²	101	129.6 Å²	129.6	62%	0.62	65%	0.653	S	S	*	*			trans	-90.5	124.9	-179.1	54.7	0	0	0	0	110	E8 V392	E8-T10 PolarHBondContact O-N 3.48Å; E8-T10 VanDerWaalsContact O-N 3.16Å; T10-V392 HydrophobicContact CG2-CG1 3.83Å
11	V	53.3	Low	49.6	Very low	80 Å²	80	129.5 Å²	129.5	49%	0.485	65%	0.651	S	S	.	*			trans	-117.9	137.8	-177.4	-174.4	0	0	0	0	109.1	D15 V16	V11-D15 HydrophobicContact CG1-CB 3.65Å; V11-V16 HydrophobicContact CB-CG2 4.42Å; V11-V16 HydrophobicContact CG1-CG2 3.78Å
12	S	62.1	Low	51.4	Low	58 Å²	58	122.9 Å²	122.9	41%	0.406	62%	0.624	S	S	.	*			trans	-74.6	151.4	176.3	-177.6	0	0	0	0	110.7	V14 D15 V16	S12-V14 PolarHBondContact O-N 3.27Å; S12-V14 PolarHBondContact OG-N 3.37Å; S12-D15 VanDerWaalsContact CB-CG 3.43Å; S12-D15 WeakPolarHBondContact CB-OD2 3.4Å; S12-D15 PolarHBondContact N-OD2 3.13Å; S12-D15 WeakPolarHBondContact O-CB 3.31Å; S12-D15 PolarHBondContact O-N 3.14Å; S12-V16 WeakPolarHBondContact O-CG2 3.43Å; S12-V16 PolarHBondContact O-N 3.18Å
13	L	45.8	Very low	53.2	Low	89 Å²	89	117.8 Å²	117.8	47%	0.466	60%	0.603	S	S	.	*	H	α-helix	trans	-60.7	-29	172.4	-180	63	0	0	0	112.2	L17 L383	L13-L17 HydrophobicContact CD1-CG 4.4Å; L13-L17 HydrophobicContact CG-CD1 4.28Å; L13-L17 WeakPolarHBondContact O-CB 3.23Å; L13-L17 VanDerWaalsContact O-CG 3.24Å; L13-L17 WeakPolarHBondContact O-CG 3.25Å; L13-L17 PolarHBondContact O-N 3.39Å; L13-L383 HydrophobicContact CD2-CD1 3.89Å
14	V	60.8	Low	54.9	Low	79 Å²	79	117.8 Å²	117.8	48%	0.479	59%	0.594	S	S	.	*	H	α-helix	trans	-66.5	-48.3	173.1	177.7	0	0	0	0	109.5	S12 V16 L17 E18	S12-V14 PolarHBondContact O-N 3.27Å; S12-V14 PolarHBondContact OG-N 3.37Å; V14-V16 VanDerWaalsContact C-N 3.27Å; V14-V16 PolarHBondContact O-N 3.33Å; V14-L17 PolarHBondContact O-N 3.3Å; V14-L17 VanDerWaalsContact O-N 3.12Å; V14-E18 HydrophobicContact CG1-CG 4.23Å; V14-E18 WeakPolarHBondContact CG1-OE1 3.39Å; V14-E18 WeakPolarHBondContact O-CB 3.32Å; V14-E18 WeakPolarHBondContact O-CG 3.39Å; V14-E18 PolarHBondContact O-N 2.66Å
15	D	61.2	Low	56.5	Low	79 Å²	79	110.4 Å²	110.4	42%	0.422	57%	0.57	S	S	.	*	H	α-helix	trans	-59.5	-38	176.4	-45.6	-19.7	0	0	0	111.5	V11 S12 E19	V11-D15 HydrophobicContact CG1-CB 3.65Å; S12-D15 VanDerWaalsContact CB-CG 3.43Å; S12-D15 WeakPolarHBondContact CB-OD2 3.4Å; S12-D15 PolarHBondContact N-OD2 3.13Å; S12-D15 WeakPolarHBondContact O-CB 3.31Å; S12-D15 PolarHBondContact O-N 3.14Å; D15-E19 WeakPolarHBondContact O-CB 3.37Å; D15-E19 PolarHBondContact O-N 3.34Å
16	V	57.8	Low	58.3	Low	54 Å²	54	108.4 Å²	108.4	33%	0.327	56%	0.559	S	S	.	*	H	α-helix	trans	-66.4	-41.3	175.2	174.7	0	0	0	0	112.1	V11 S12 V14 D20	V11-V16 HydrophobicContact CB-CG2 4.42Å; V11-V16 HydrophobicContact CG1-CG2 3.78Å; S12-V16 WeakPolarHBondContact O-CG2 3.43Å; S12-V16 PolarHBondContact O-N 3.18Å; V14-V16 VanDerWaalsContact C-N 3.27Å; V14-V16 PolarHBondContact O-N 3.33Å; V16-D20 WeakPolarHBondContact O-CB 3.5Å; V16-D20 PolarHBondContact O-N 2.93Å
17	L	59.8	Low	59.9	Low	104 Å²	104	105.6 Å²	105.6	55%	0.545	54%	0.542	S	S	.	.	H	α-helix	trans	-72	-36.4	178.9	-70.6	172.4	0	0	0	111.9	L13 V14 E21	L13-L17 HydrophobicContact CD1-CG 4.4Å; L13-L17 HydrophobicContact CG-CD1 4.28Å; L13-L17 WeakPolarHBondContact O-CB 3.23Å; L13-L17 VanDerWaalsContact O-CG 3.24Å; L13-L17 WeakPolarHBondContact O-CG 3.25Å; L13-L17 PolarHBondContact O-N 3.39Å; V14-L17 PolarHBondContact O-N 3.3Å; V14-L17 VanDerWaalsContact O-N 3.12Å; L17-E21 WeakPolarHBondContact O-CB 3.34Å; L17-E21 PolarHBondContact O-N 3.01Å
18	E	67.5	Low	61.3	Low	103 Å²	103	98 Å²	98	48%	0.481	51%	0.51	S	S	.	.	H	α-helix	trans	-66.5	-43.1	173	-71.9	175.9	177.1	0	0	110.3	V14 E21 E22	V14-E18 HydrophobicContact CG1-CG 4.23Å; V14-E18 WeakPolarHBondContact CG1-OE1 3.39Å; V14-E18 WeakPolarHBondContact O-CB 3.32Å; V14-E18 WeakPolarHBondContact O-CG 3.39Å; V14-E18 PolarHBondContact O-N 2.66Å; E18-E21 PolarHBondContact O-N 3.36Å; E18-E22 WeakPolarHBondContact O-CB 3.5Å; E18-E22 VanDerWaalsContact O-CG 3.26Å; E18-E22 WeakPolarHBondContact O-CG 3.31Å; E18-E22 PolarHBondContact O-N 3.16Å
19	E	68.4	Low	62.8	Low	103 Å²	103	90 Å²	90	48%	0.481	47%	0.474	S	S	.	.	H	α-helix	trans	-63.1	-44	174.3	-174.7	175.8	-168	0	0	111.8	D15 E22 L23	D15-E19 WeakPolarHBondContact O-CB 3.37Å; D15-E19 PolarHBondContact O-N 3.34Å; E19-E22 PolarHBondContact O-N 3.32Å; E19-L23 HydrophobicContact CG-CD1 4.1Å; E19-L23 HydrophobicContact CG-CG 4.5Å; E19-L23 WeakPolarHBondContact O-CB 3.43Å; E19-L23 WeakPolarHBondContact O-CG 3.22Å; E19-L23 PolarHBondContact O-N 2.97Å
20	D	64.9	Low	64.4	Low	81 Å²	81	83.3 Å²	83.3	43%	0.433	45%	0.445	S	S	.	.	H	α-helix	trans	-62	-43.9	175.1	-83.4	-4.4	0	0	0	111.4	V16 L23 E24	V16-D20 WeakPolarHBondContact O-CB 3.5Å; V16-D20 PolarHBondContact O-N 2.93Å; D20-L23 PolarHBondContact O-N 3.48Å; D20-E24 WeakPolarHBondContact O-CB 3.39Å; D20-E24 WeakPolarHBondContact O-CG 3.43Å; D20-E24 PolarHBondContact O-N 3.44Å
21	E	69.3	Low	65.9	Low	129 Å²	129	80.1 Å²	80.1	60%	0.603	43%	0.425	S	S	*	.	H	α-helix	trans	-65.4	-40.6	177.5	-173.3	172.1	-165.9	0	0	111.6	L17 E18 E24 E25	L17-E21 WeakPolarHBondContact O-CB 3.34Å; L17-E21 PolarHBondContact O-N 3.01Å; E18-E21 PolarHBondContact O-N 3.36Å; E21-E24 PolarHBondContact O-N 3.43Å; E21-E25 PolarHBondContact O-N 3.04Å
22	E	72.8	Confident	66.7	Low	125 Å²	125	76.9 Å²	76.9	58%	0.584	41%	0.406	S	S	*	.	H	α-helix	trans	-63.2	-44.7	174.4	-76.1	178.3	179.4	0	0	111.4	E18 E19 E25 E26	E18-E22 WeakPolarHBondContact O-CB 3.5Å; E18-E22 VanDerWaalsContact O-CG 3.26Å; E18-E22 WeakPolarHBondContact O-CG 3.31Å; E18-E22 PolarHBondContact O-N 3.16Å; E19-E22 PolarHBondContact O-N 3.32Å; E22-E25 PolarHBondContact O-N 3.49Å; E22-E26 WeakPolarHBondContact O-CG 3.43Å; E22-E26 PolarHBondContact O-N 3.41Å
23	L	69	Low	66.7	Low	90 Å²	90	76.3 Å²	76.3	47%	0.471	41%	0.409	S	S	.	.	H	α-helix	trans	-64.2	-40	177.3	-73.4	171.4	0	0	0	112.4	E19 D20 A27	E19-L23 HydrophobicContact CG-CD1 4.1Å; E19-L23 HydrophobicContact CG-CG 4.5Å; E19-L23 WeakPolarHBondContact O-CB 3.43Å; E19-L23 WeakPolarHBondContact O-CG 3.22Å; E19-L23 PolarHBondContact O-N 2.97Å; D20-L23 PolarHBondContact O-N 3.48Å; L23-A27 WeakPolarHBondContact O-CB 3.5Å; L23-A27 PolarHBondContact O-N 2.92Å
24	E	68.8	Low	68.2	Low	126 Å²	126	73.3 Å²	73.3	59%	0.589	40%	0.396	S	S	*	.	H	α-helix	trans	-63.3	-46.4	174.5	-76.6	-178.2	179.7	0	0	111.2	D20 E21 E26 A27 S28	D20-E24 WeakPolarHBondContact O-CB 3.39Å; D20-E24 WeakPolarHBondContact O-CG 3.43Å; D20-E24 PolarHBondContact O-N 3.44Å; E21-E24 PolarHBondContact O-N 3.43Å; E24-E26 VanDerWaalsContact C-N 3.33Å; E24-E26 PolarHBondContact O-N 3.22Å; E24-A27 PolarHBondContact O-N 3.16Å; E24-S28 WeakPolarHBondContact O-CB 3.39Å; E24-S28 PolarHBondContact O-N 3.14Å
25	E	68.3	Low	69.2	Low	89 Å²	89	72.5 Å²	72.5	42%	0.416	39%	0.389	S	S	.	.	H	α-helix	trans	-62.8	-39.5	178.7	-166	-174.3	163.6	0	0	111.8	E21 E22 A29 K341	E21-E25 PolarHBondContact O-N 3.04Å; E22-E25 PolarHBondContact O-N 3.49Å; E25-A29 WeakPolarHBondContact O-CB 3.26Å; E25-A29 PolarHBondContact O-N 3.21Å; E25-K341 HydrophobicContact CG-CD 4.45Å; E25-K341 WeakPolarHBondContact OE1-CE 3.48Å; E25-K341 IonicContact OE1-NZ 3.51Å; E25-K341 PolarHBondContact OE1-NZ 3.13Å
26	E	70.8	Confident	70.3	Confident	128 Å²	128	71 Å²	71	60%	0.598	38%	0.384	S	S	*	.	H	α-helix	trans	-64.8	-47.5	174.6	-75.9	-173	175	0	0	112.1	E22 E24 S28 A29 V30	E22-E26 WeakPolarHBondContact O-CG 3.43Å; E22-E26 PolarHBondContact O-N 3.41Å; E24-E26 VanDerWaalsContact C-N 3.33Å; E24-E26 PolarHBondContact O-N 3.22Å; E26-S28 VanDerWaalsContact C-N 3.29Å; E26-S28 PolarHBondContact O-N 3.22Å; E26-A29 WeakPolarHBondContact O-CB 3.49Å; E26-A29 PolarHBondContact O-N 2.99Å; E26-V30 WeakPolarHBondContact O-CG2 3.09Å; E26-V30 PolarHBondContact O-N 2.96Å
27	A	69.9	Low	71.7	Confident	48 Å²	48	73.5 Å²	73.5	40%	0.397	40%	0.396	S	S	.	.	H	α-helix	trans	-58.9	-43.8	178.4	0	0	0	0	0	111.1	L23 E24 V30 L31	L23-A27 WeakPolarHBondContact O-CB 3.5Å; L23-A27 PolarHBondContact O-N 2.92Å; E24-A27 PolarHBondContact O-N 3.16Å; A27-V30 PolarHBondContact O-N 3.47Å; A27-L31 WeakPolarHBondContact O-CB 2.93Å; A27-L31 VanDerWaalsContact O-CG 3.26Å; A27-L31 WeakPolarHBondContact O-CG 3.38Å; A27-L31 PolarHBondContact O-N 3.03Å
28	S	69.8	Low	73.3	Confident	30 Å²	30	74.1 Å²	74.1	21%	0.21	40%	0.396	C	S	.	.	H	α-helix	trans	-73.5	-30.9	179.6	-81.2	0	0	0	0	114.3	E24 E26 A32 G340 E344	E24-S28 WeakPolarHBondContact O-CB 3.39Å; E24-S28 PolarHBondContact O-N 3.14Å; E26-S28 VanDerWaalsContact C-N 3.29Å; E26-S28 PolarHBondContact O-N 3.22Å; S28-A32 VanDerWaalsContact O-CA 3.29Å; S28-A32 WeakPolarHBondContact O-CA 3.38Å; S28-A32 PolarHBondContact O-N 2.96Å; S28-G340 WeakPolarHBondContact O-CA 3.43Å; S28-E344 WeakPolarHBondContact CB-OE1 3.42Å; S28-E344 WeakPolarHBondContact CB-OE2 3.36Å; S28-E344 WeakPolarHBondContact OG-CG 3.41Å; S28-E344 PolarHBondContact OG-OE1 3.42Å; S28-E344 PolarHBondContact OG-OE2 3.36Å
29	A	71.8	Confident	74.6	Confident	9 Å²	9	69.5 Å²	69.5	7%	0.074	38%	0.375	C	S	.	.	H	α-helix	trans	-59	-50.7	166.8	0	0	0	0	0	110.2	E25 E26 L31 A32 E337 K341	E25-A29 WeakPolarHBondContact O-CB 3.26Å; E25-A29 PolarHBondContact O-N 3.21Å; E26-A29 WeakPolarHBondContact O-CB 3.49Å; E26-A29 PolarHBondContact O-N 2.99Å; A29-L31 PolarHBondContact O-N 3.44Å; A29-A32 PolarHBondContact O-N 3.14Å; A29-E337 HydrophobicContact CB-CB 4.04Å; A29-E337 HydrophobicContact CB-CG 4.2Å; A29-E337 VanDerWaalsContact O-CA 3.24Å; A29-E337 WeakPolarHBondContact O-CA 3.42Å; A29-E337 WeakPolarHBondContact O-CG 3.32Å; A29-K341 HydrophobicContact CB-CG 4.44Å
30	V	74.8	Confident	76	Confident	44 Å²	44	65 Å²	65	27%	0.267	36%	0.355	S	S	.	.	H	α-helix	trans	-66	-36.3	-177.4	172.4	0	0	0	0	112.7	E26 A27 Y85 Y336	E26-V30 WeakPolarHBondContact O-CG2 3.09Å; E26-V30 PolarHBondContact O-N 2.96Å; A27-V30 PolarHBondContact O-N 3.47Å; V30-Y85 HydrophobicContact CG1-CD1 3.66Å; V30-Y85 HydrophobicContact CG1-CE1 3.8Å; V30-Y85 HydrophobicContact CG2-CD1 4.45Å; V30-Y85 HydrophobicContact CG2-CE1 4.1Å; V30-Y336 WeakPolarHBondContact O-CE1 3.47Å
31	L	77.7	Confident	77.5	Confident	35 Å²	35	61.5 Å²	61.5	18%	0.183	34%	0.335	C	S	.	.	H	α-helix	trans	-87.1	-19	-179.2	-61.6	-179.8	0	0	0	112.9	A27 A29 G33 S34 A50 Y52 L69 Y336	A27-L31 WeakPolarHBondContact O-CB 2.93Å; A27-L31 VanDerWaalsContact O-CG 3.26Å; A27-L31 WeakPolarHBondContact O-CG 3.38Å; A27-L31 PolarHBondContact O-N 3.03Å; A29-L31 PolarHBondContact O-N 3.44Å; L31-G33 PolarHBondContact O-N 3.25Å; L31-G33 VanDerWaalsContact O-N 3.11Å; L31-S34 WeakPolarHBondContact O-CB 3.32Å; L31-S34 PolarHBondContact O-N 3.4Å; L31-S34 PolarHBondContact O-OG 3.49Å; L31-A50 HydrophobicContact CD2-CB 3.9Å; L31-Y52 WeakPolarHBondContact CD2-OH 3.3Å; L31-L69 HydrophobicContact CB-CD2 4.45Å; L31-L69 HydrophobicContact CD1-CD1 4.33Å; L31-L69 HydrophobicContact CD1-CD2 4.15Å; L31-L69 HydrophobicContact CD2-CD1 3.96Å; L31-L69 HydrophobicContact CD2-CD2 4.31Å; L31-Y336 PolarHBondContact O-OH 3.23Å
32	A	69.3	Low	78.8	Confident	11 Å²	11	59.1 Å²	59.1	9%	0.091	33%	0.331	C	S	.	.	T	Hydrogen-bonded Turn	trans	44.3	36.7	176.8	0	0	0	0	0	116.5	S28 A29 S34 Y336	S28-A32 VanDerWaalsContact O-CA 3.29Å; S28-A32 WeakPolarHBondContact O-CA 3.38Å; S28-A32 PolarHBondContact O-N 2.96Å; A29-A32 PolarHBondContact O-N 3.14Å; A32-S34 VanDerWaalsContact C-N 3.29Å; A32-S34 PolarHBondContact O-N 3.15Å; A32-Y336 HydrophobicContact CB-CD1 3.36Å; A32-Y336 HydrophobicContact CB-CD2 3.71Å; A32-Y336 HydrophobicContact CB-CE1 3.16Å; A32-Y336 HydrophobicContact CB-CE2 3.56Å; A32-Y336 HydrophobicContact CB-CG 3.62Å; A32-Y336 WeakPolarHBondContact CB-O 3.5Å
33	G	61.7	Low	79.8	Confident	46 Å²	46	58.9 Å²	58.9	47%	0.474	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	69.5	27.5	-175.9	0	0	0	0	0	113.5	L31 D35	L31-G33 PolarHBondContact O-N 3.25Å; L31-G33 VanDerWaalsContact O-N 3.11Å; G33-D35 PolarHBondContact O-N 3.27Å
34	S	77.1	Confident	81.1	Confident	26 Å²	26	55.4 Å²	55.4	18%	0.182	32%	0.316	C	S	.	.			trans	-52.2	134	160.1	-68.1	0	0	0	0	108.5	L31 A32 S36 Y336	L31-S34 WeakPolarHBondContact O-CB 3.32Å; L31-S34 PolarHBondContact O-N 3.4Å; L31-S34 PolarHBondContact O-OG 3.49Å; A32-S34 VanDerWaalsContact C-N 3.29Å; A32-S34 PolarHBondContact O-N 3.15Å; S34-S36 PolarHBondContact O-N 3.38Å; S34-Y336 PolarHBondContact OG-OH 3.19Å
35	D	82	Confident	82.4	Confident	63 Å²	63	52.4 Å²	52.4	34%	0.337	30%	0.3	S	S	.	.			trans	-69.9	124.6	-179.1	-164.5	-41.5	0	0	0	109.2	G33 D37 H38 A70	G33-D35 PolarHBondContact O-N 3.27Å; D35-D37 WeakPolarHBondContact OD1-CA 3.43Å; D35-D37 PolarHBondContact OD1-N 3.01Å; D35-H38 IonicContact OD1-CG 2.78Å; D35-H38 PolarHBondContact OD1-N 3.12Å; D35-H38 IonicContact OD1-ND1 3.21Å; D35-H38 PolarHBondContact OD1-ND1 3.47Å; D35-H38 WeakPolarHBondContact OD2-CB 3.36Å; D35-H38 IonicContact OD2-CG 3.66Å; D35-H38 IonicContact OD2-ND1 3.37Å; D35-H38 PolarHBondContact OD2-ND1 3.13Å; D35-A70 WeakPolarHBondContact O-CB 3.28Å; D35-A70 PolarHBondContact O-N 3.08Å
36	S	85.8	Confident	83.6	Confident	47 Å²	47	49.1 Å²	49.1	33%	0.329	29%	0.286	S	S	.	.	S	Bend	trans	-81.5	-17.9	178	56.3	0	0	0	0	112.9	S34 A70	S34-S36 PolarHBondContact O-N 3.38Å; S36-A70 VanDerWaalsContact C-CB 3.47Å; S36-A70 VanDerWaalsContact O-CA 3.23Å; S36-A70 WeakPolarHBondContact O-CA 3.25Å; S36-A70 VanDerWaalsContact O-CB 3.27Å; S36-A70 WeakPolarHBondContact O-CB 3.43Å
37	D	86.4	Confident	84.5	Confident	106 Å²	106	49 Å²	49	57%	0.567	28%	0.283	S	S	*	.	S	Bend	trans	-111.7	-30.6	-167.4	-56.6	-20.3	0	0	0	111.4	D35 L106	D35-D37 WeakPolarHBondContact OD1-CA 3.43Å; D35-D37 PolarHBondContact OD1-N 3.01Å; D37-L106 WeakPolarHBondContact O-CD2 3.47Å
38	H	92.6	Very high	85.6	Confident	117 Å²	117	47.8 Å²	47.8	54%	0.542	27%	0.268	S	S	.	.	S	Bend	trans	-112.6	131.3	-177.2	-52	91.1	0	0	0	112.4	D35 S40 A70	D35-H38 IonicContact OD1-CG 2.78Å; D35-H38 PolarHBondContact OD1-N 3.12Å; D35-H38 IonicContact OD1-ND1 3.21Å; D35-H38 PolarHBondContact OD1-ND1 3.47Å; D35-H38 WeakPolarHBondContact OD2-CB 3.36Å; D35-H38 IonicContact OD2-CG 3.66Å; D35-H38 IonicContact OD2-ND1 3.37Å; D35-H38 PolarHBondContact OD2-ND1 3.13Å; H38-S40 PolarHBondContact O-N 3.28Å; H38-A70 VanDerWaalsContact C-CB 3.49Å; H38-A70 WeakPolarHBondContact O-CB 3.47Å
39	C	96.6	Very high	86.6	Confident	7 Å²	7	46.8 Å²	46.8	5%	0.047	26%	0.261	C	S	.	.			trans	-59.7	134.2	172.3	-175.8	0	0	0	0	110.5	Y41 P42 L106 H107	C39-Y41 PolarHBondContact O-N 3.21Å; C39-P42 WeakPolarHBondContact O-CD 3.39Å; C39-L106 HydrophobicContact CB-CB 3.79Å; C39-L106 HydrophobicContact CB-CD1 4.37Å; C39-H107 HydrophobicContact CB-CB 3.99Å
40	S	95.9	Very high	87.6	Confident	8 Å²	8	46.5 Å²	46.5	6%	0.056	26%	0.258	C	S	.	.	S	Bend	trans	-74.4	-8.2	179.3	67.2	0	0	0	0	114.2	H38 P42 Q43 Q49 C68	H38-S40 PolarHBondContact O-N 3.28Å; S40-P42 VanDerWaalsContact C-CD 3.44Å; S40-Q43 VanDerWaalsContact O-CB 3.25Å; S40-Q43 WeakPolarHBondContact O-CB 3.25Å; S40-Q43 PolarHBondContact O-N 3Å; S40-Q49 VanDerWaalsContact CB-OE1 3.29Å; S40-Q49 PolarHBondContact OG-NE2 3.36Å; S40-Q49 PolarHBondContact OG-OE1 3.31Å; S40-C68 PolarHBondContact N-SG 2.96Å; S40-C68 WeakPolarHBondContact OG-CB 3.37Å
41	Y	97.2	Very high	88.6	Confident	7 Å²	7	44.4 Å²	44.4	3%	0.027	25%	0.245	C	C	.	.	G	3₁₀ helix	trans	-53.2	-42.8	-177.1	-179	-87.7	0	0	0	115.4	C39 Q43 G44 R91 C92 H107 K110 D111	C39-Y41 PolarHBondContact O-N 3.21Å; Y41-Q43 PolarHBondContact O-N 3.44Å; Y41-G44 PolarHBondContact O-N 2.63Å; Y41-R91 HydrophobicContact CD2-CG 3.66Å; Y41-R91 HydrophobicContact CE2-CG 4.03Å; Y41-R91 VanDerWaalsContact CE2-NE 3.33Å; Y41-R91 HydrophobicContact CG-CG 4.35Å; Y41-R91 PolarHBondContact O-NE 3.17Å; Y41-R91 PolarHBondContact OH-NH1 3.3Å; Y41-R91 VanDerWaalsContact OH-NH1 3.1Å; Y41-R91 PolarHBondContact OH-NH2 3.06Å; Y41-R91 VanDerWaalsContact OH-NH2 3.15Å; Y41-C92 VanDerWaalsContact CD2-O 3.25Å; Y41-C92 WeakPolarHBondContact CD2-O 3.27Å; Y41-H107 AromaticContact CD1-CD2 3.26Å; Y41-H107 WeakPolarHBondContact CD1-CD2 3.16Å; Y41-H107 AromaticContact CD1-NE2 3.58Å; Y41-H107 AromaticContact CE1-CD2 3.93Å; Y41-H107 AromaticContact CE1-NE2 3.96Å; Y41-K110 HydrophobicContact CD1-CD 4.29Å; Y41-K110 HydrophobicContact CD1-CG 3.88Å; Y41-K110 HydrophobicContact CD2-CB 4.49Å; Y41-K110 HydrophobicContact CD2-CD 3.63Å; Y41-K110 HydrophobicContact CD2-CG 3.96Å; Y41-K110 HydrophobicContact CE1-CB 4.04Å; Y41-K110 HydrophobicContact CE1-CD 4.44Å; Y41-K110 HydrophobicContact CE1-CG 3.71Å; Y41-K110 HydrophobicContact CE2-CB 3.86Å; Y41-K110 HydrophobicContact CE2-CD 3.83Å; Y41-K110 HydrophobicContact CE2-CG 3.82Å; Y41-K110 HydrophobicContact CG-CD 3.85Å; Y41-K110 HydrophobicContact CG-CG 3.97Å; Y41-K110 WeakPolarHBondContact OH-CA 3.41Å; Y41-D111 WeakPolarHBondContact OH-CB 3.42Å; Y41-D111 PolarHBondContact OH-N 3.43Å; Y41-D111 PolarHBondContact OH-OD2 3.36Å
42	P	96.1	Very high	89.4	Confident	80 Å²	80	43.4 Å²	43.4	52%	0.519	24%	0.239	S	C	.	.	G	3₁₀ helix	trans	-65.8	-21.4	178.1	-19.5	34	0	0	0	113.3	C39 S40 G44	C39-P42 WeakPolarHBondContact O-CD 3.39Å; S40-P42 VanDerWaalsContact C-CD 3.44Å; P42-G44 PolarHBondContact O-N 3.35Å
43	Q	94.9	Very high	90.8	Very high	120 Å²	120	42.9 Å²	42.9	56%	0.561	24%	0.235	S	C	*	.	G	3₁₀ helix	trans	-74.2	-6.5	175.8	-50	177.8	20.8	0	0	112	S40 Y41 V46	S40-Q43 VanDerWaalsContact O-CB 3.25Å; S40-Q43 WeakPolarHBondContact O-CB 3.25Å; S40-Q43 PolarHBondContact O-N 3Å; Y41-Q43 PolarHBondContact O-N 3.44Å; Q43-V46 HydrophobicContact CB-CG1 3.65Å
44	G	95.8	Very high	92.4	Very high	17 Å²	17	40.7 Å²	40.7	18%	0.175	21%	0.212	C	C	.	.			trans	76.4	-141.4	-179.6	0	0	0	0	0	112.1	Y41 P42 V46 R91	Y41-G44 PolarHBondContact O-N 2.63Å; P42-G44 PolarHBondContact O-N 3.35Å; G44-V46 PolarHBondContact O-N 3.31Å; G44-R91 WeakPolarHBondContact O-CB 3.26Å; G44-R91 WeakPolarHBondContact O-CG 3.39Å
45	Y	95.8	Very high	93.3	Very high	63 Å²	63	41.7 Å²	41.7	25%	0.247	22%	0.216	C	C	.	.	S	Bend	trans	-86.1	96.3	175.4	-63.4	-84.4	0	0	0	109.1	N89 R91 N114 T115 L116 N117	Y45-N89 VanDerWaalsContact CB-OD1 3.3Å; Y45-N89 WeakPolarHBondContact CB-OD1 3.38Å; Y45-N89 WeakPolarHBondContact CD1-O 3.36Å; Y45-R91 HydrophobicContact CD1-CB 3.73Å; Y45-R91 HydrophobicContact CE1-CB 3.77Å; Y45-R91 HydrophobicContact CG-CB 4.26Å; Y45-N114 HydrophobicContact CE1-CB 4.33Å; Y45-T115 PolarHBondContact OH-N 3.27Å; Y45-L116 HydrophobicContact CD1-CB 4.08Å; Y45-L116 HydrophobicContact CD2-CD1 3.99Å; Y45-L116 HydrophobicContact CE1-CB 3.53Å; Y45-L116 HydrophobicContact CE1-CD1 4.47Å; Y45-L116 HydrophobicContact CE1-CG 4.26Å; Y45-L116 HydrophobicContact CE2-CB 4.21Å; Y45-L116 HydrophobicContact CE2-CD1 3.69Å; Y45-L116 HydrophobicContact CE2-CG 4.07Å; Y45-L116 HydrophobicContact CG-CD1 4.49Å; Y45-L116 PolarHBondContact OH-N 3.4Å; Y45-N117 WeakPolarHBondContact CE1-OD1 3.37Å
46	V	92.8	Very high	93.9	Very high	19 Å²	19	42.5 Å²	42.5	12%	0.115	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	146.7	-178.7	-56.1	0	0	0	0	110.5	Q43 G44 R48 Q49 N89 F90	Q43-V46 HydrophobicContact CB-CG1 3.65Å; G44-V46 PolarHBondContact O-N 3.31Å; V46-R48 VanDerWaalsContact C-N 3.32Å; V46-R48 PolarHBondContact O-N 3.05Å; V46-Q49 HydrophobicContact CG2-CB 3.66Å; V46-Q49 VanDerWaalsContact CG2-CD 3.44Å; V46-Q49 HydrophobicContact CG2-CG 3.46Å; V46-Q49 VanDerWaalsContact CG2-CG 3.46Å; V46-N89 WeakPolarHBondContact O-CA 3.37Å; V46-N89 PolarHBondContact O-N 2.87Å; V46-F90 PolarHBondContact N-O 3.25Å; V46-F90 PolarHBondContact O-N 2.95Å
47	K	90.8	Very high	94.3	Very high	126 Å²	126	41.6 Å²	41.6	55%	0.548	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-54.4	-49.3	-178.2	-76.9	-164.7	175.2	-165.3	0	111.9	R88 N89 D328	K47-R88 WeakPolarHBondContact O-CA 3.36Å; K47-R88 WeakPolarHBondContact O-CB 3.24Å; K47-R88 WeakPolarHBondContact O-CG 3.49Å; K47-N89 PolarHBondContact O-N 3.2Å; K47-N89 VanDerWaalsContact O-N 3.13Å; K47-D328 IonicContact NZ-OD2 4Å; K47-D328 PolarHBondContact NZ-OD2 3.09Å
48	R	92.4	Very high	94.7	Very high	22 Å²	22	36.7 Å²	36.7	8%	0.083	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150	140.2	175.8	-85.1	-168.7	164.6	-86.7	-1.3	109.9	V46 T86 K87 R88 E152 D331 Y336	V46-R48 VanDerWaalsContact C-N 3.32Å; V46-R48 PolarHBondContact O-N 3.05Å; R48-T86 WeakPolarHBondContact CB-OG1 3.42Å; R48-T86 PolarHBondContact NH1-O 3.36Å; R48-T86 PolarHBondContact NH1-OG1 2.98Å; R48-K87 WeakPolarHBondContact CA-O 3.49Å; R48-R88 HydrophobicContact CG-CG 3.6Å; R48-E152 IonicContact CZ-OE1 3.36Å; R48-E152 IonicContact NH1-OE1 3.03Å; R48-E152 IonicContact NH2-OE1 3.8Å; R48-E152 PolarHBondContact NH2-OE1 3.09Å; R48-D331 WeakPolarHBondContact CD-O 3.48Å; R48-D331 PolarHBondContact NE-O 3.28Å; R48-Y336 HydrophobicContact CB-CD2 3.45Å; R48-Y336 VanDerWaalsContact CB-CD2 3.45Å; R48-Y336 HydrophobicContact CB-CE2 3.9Å; R48-Y336 HydrophobicContact CB-CG 4.16Å; R48-Y336 WeakPolarHBondContact O-CE2 3.34Å
49	Q	92.1	Very high	94.7	Very high	10 Å²	10	34.3 Å²	34.3	5%	0.047	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.6	153.1	170.7	62.6	177.4	-49.9	0	0	110.4	S40 V46 L51 C68 T86 K87 F90	S40-Q49 VanDerWaalsContact CB-OE1 3.29Å; S40-Q49 PolarHBondContact OG-NE2 3.36Å; S40-Q49 PolarHBondContact OG-OE1 3.31Å; V46-Q49 HydrophobicContact CG2-CB 3.66Å; V46-Q49 VanDerWaalsContact CG2-CD 3.44Å; V46-Q49 HydrophobicContact CG2-CG 3.46Å; V46-Q49 VanDerWaalsContact CG2-CG 3.46Å; Q49-L51 HydrophobicContact CG-CD2 3.69Å; Q49-L51 HydrophobicContact CG-CG 4.1Å; Q49-C68 VanDerWaalsContact OE1-CB 3.29Å; Q49-T86 VanDerWaalsContact O-CA 3.29Å; Q49-T86 WeakPolarHBondContact O-CA 3.23Å; Q49-K87 PolarHBondContact N-O 3.26Å; Q49-K87 PolarHBondContact O-N 3.5Å; Q49-F90 PolarHBondContact NE2-O 2.69Å
50	A	91.9	Very high	94.3	Very high	2 Å²	2	40.6 Å²	40.6	2%	0.017	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.4	131.6	169.1	0	0	0	0	0	109.5	L31 Y52 Y336	L31-A50 HydrophobicContact CD2-CB 3.9Å; A50-Y52 HydrophobicContact CB-CE2 4.5Å; A50-Y336 PolarHBondContact N-OH 3.48Å
51	L	94.8	Very high	93.8	Very high	1 Å²	1	44 Å²	44	1%	0.005	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	152.1	-178.7	-69	-174.8	0	0	0	112	Q49 V67 L84 Y85 K87 F90	Q49-L51 HydrophobicContact CG-CD2 3.69Å; Q49-L51 HydrophobicContact CG-CG 4.1Å; L51-V67 WeakPolarHBondContact CA-O 3.32Å; L51-L84 HydrophobicContact CB-CB 4.33Å; L51-L84 WeakPolarHBondContact O-CA 3.3Å; L51-L84 WeakPolarHBondContact O-CB 3.45Å; L51-L84 PolarHBondContact O-N 3.36Å; L51-Y85 PolarHBondContact N-O 3.45Å; L51-K87 HydrophobicContact CB-CG 4.42Å; L51-K87 HydrophobicContact CD1-CB 3.54Å; L51-K87 HydrophobicContact CD1-CG 3.76Å; L51-K87 HydrophobicContact CG-CB 4.23Å; L51-K87 HydrophobicContact CG-CG 4.37Å; L51-F90 HydrophobicContact CD1-CB 3.73Å; L51-F90 HydrophobicContact CD1-CD1 3.35Å; L51-F90 HydrophobicContact CD1-CD2 3.62Å; L51-F90 HydrophobicContact CD1-CE1 3.79Å; L51-F90 HydrophobicContact CD1-CE2 4.02Å; L51-F90 HydrophobicContact CD1-CG 3.27Å; L51-F90 HydrophobicContact CD1-CZ 4.11Å; L51-F90 HydrophobicContact CD2-CD1 3.66Å; L51-F90 HydrophobicContact CD2-CE1 4.06Å; L51-F90 HydrophobicContact CD2-CG 4.34Å; L51-F90 HydrophobicContact CG-CD1 4.18Å; L51-F90 HydrophobicContact CG-CG 4.42Å
52	Y	96.4	Very high	93.4	Very high	13 Å²	13	45.5 Å²	45.5	5%	0.051	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	141.2	177.3	-57.6	-96.2	0	0	0	109.1	L31 A50 G66 V67 L69 F82 E83	L31-Y52 WeakPolarHBondContact CD2-OH 3.3Å; A50-Y52 HydrophobicContact CB-CE2 4.5Å; Y52-G66 CarbonylContact O-C 3.56Å; Y52-G66 WeakPolarHBondContact O-CA 3.32Å; Y52-V67 PolarHBondContact N-O 3.25Å; Y52-V67 PolarHBondContact O-N 3.13Å; Y52-L69 HydrophobicContact CE2-CB 4.3Å; Y52-L69 HydrophobicContact CE2-CD1 3.75Å; Y52-L69 WeakPolarHBondContact OH-CD1 3.36Å; Y52-F82 CarbonylContact C-O 3.26Å; Y52-F82 VanDerWaalsContact CA-O 3.29Å; Y52-F82 WeakPolarHBondContact CA-O 3.36Å; Y52-E83 HydrophobicContact CD1-CB 4.28Å; Y52-E83 HydrophobicContact CD1-CG 3.9Å; Y52-E83 HydrophobicContact CE1-CB 4.14Å; Y52-E83 HydrophobicContact CE1-CG 3.64Å
53	A	97.1	Very high	93.2	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	134.1	167.3	0	0	0	0	0	109.4	L81 F82 L84 F123	A53-L81 CarbonylContact O-C 3.57Å; A53-L81 WeakPolarHBondContact O-CA 3.49Å; A53-F82 HydrophobicContact CB-CB 4.44Å; A53-F82 HydrophobicContact CB-CD2 4.41Å; A53-F82 PolarHBondContact N-O 2.93Å; A53-F82 PolarHBondContact O-N 2.96Å; A53-L84 HydrophobicContact CB-CD1 3.93Å; A53-L84 HydrophobicContact CB-CD2 4.46Å; A53-L84 HydrophobicContact CB-CG 4.32Å; A53-F123 HydrophobicContact CB-CB 4.23Å; A53-F123 HydrophobicContact CB-CD1 4.1Å; A53-F123 WeakPolarHBondContact CB-O 3.47Å
54	C	96.3	Very high	93.3	Very high	1 Å²	1	41 Å²	41	1%	0.007	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	106.6	-178.3	-177.5	0	0	0	0	110.9	T56 C57 T58 H79 D80 L81	C54-T56 VanDerWaalsContact C-N 3.3Å; C54-T56 PolarHBondContact O-N 3.25Å; C54-C57 HydrophobicContact CB-CB 4.11Å; C54-C57 PolarHBondContact O-N 3.03Å; C54-C57 PolarHBondContact SG-N 2.78Å; C54-C57 VanDerWaalsContact SG-N 3.37Å; C54-T58 PolarHBondContact O-N 2.97Å; C54-T58 PolarHBondContact O-OG1 3.21Å; C54-H79 PolarHBondContact SG-ND1 3.46Å; C54-H79 VanDerWaalsContact SG-ND1 3.42Å; C54-D80 CarbonylContact C-O 3.35Å; C54-L81 HydrophobicContact CB-CD2 3.49Å; C54-L81 VanDerWaalsContact CB-CD2 3.49Å
55	N	94.9	Very high	93.3	Very high	46 Å²	46	40.2 Å²	40.2	25%	0.246	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-34.6	177.9	-170	38.8	0	0	0	111.9	C57 P59 D80 F82	N55-C57 PolarHBondContact O-N 3.21Å; N55-P59 VanDerWaalsContact O-CA 3.25Å; N55-P59 WeakPolarHBondContact O-CA 3.23Å; N55-P59 WeakPolarHBondContact O-CB 3.34Å; N55-D80 HydrophobicContact CB-CB 4.17Å; N55-D80 WeakPolarHBondContact CB-OD2 3.47Å; N55-D80 PolarHBondContact N-O 2.94Å; N55-D80 PolarHBondContact ND2-OD2 3.31Å; N55-F82 HydrophobicContact CB-CD2 4.35Å; N55-F82 HydrophobicContact CB-CE2 3.56Å; N55-F82 HydrophobicContact CB-CZ 3.71Å
56	T	94.9	Very high	93.4	Very high	81 Å²	81	37.2 Å²	37.2	50%	0.497	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-40.6	176.2	-51.3	0	0	0	0	112.5	C54 D80	C54-T56 VanDerWaalsContact C-N 3.3Å; C54-T56 PolarHBondContact O-N 3.25Å; T56-D80 PolarHBondContact OG1-N 3.07Å
57	C	94.6	Very high	93.6	Very high	28 Å²	28	36.3 Å²	36.3	19%	0.189	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.4	-37.4	-177.5	-66.8	0	0	0	0	113.3	C54 N55 P59 H79 F99	C54-C57 HydrophobicContact CB-CB 4.11Å; C54-C57 PolarHBondContact O-N 3.03Å; C54-C57 PolarHBondContact SG-N 2.78Å; C54-C57 VanDerWaalsContact SG-N 3.37Å; N55-C57 PolarHBondContact O-N 3.21Å; C57-P59 VanDerWaalsContact C-CD 3.49Å; C57-H79 PolarHBondContact SG-CE1 3.15Å; C57-H79 PolarHBondContact SG-ND1 2.88Å; C57-F99 HydrophobicContact CB-CD1 3.72Å; C57-F99 HydrophobicContact CB-CE1 3.81Å
58	T	94.3	Very high	93.9	Very high	3 Å²	3	30.5 Å²	30.5	2%	0.018	19%	0.192	C	C	.	.	S	Bend	trans	-127.2	71.2	-178.5	57	0	0	0	0	109.8	C54 E63 A65 F99	C54-T58 PolarHBondContact O-N 2.97Å; C54-T58 PolarHBondContact O-OG1 3.21Å; T58-E63 WeakPolarHBondContact CG2-O 3.43Å; T58-A65 HydrophobicContact CG2-CB 3.8Å; T58-F99 HydrophobicContact CG2-CE1 4.35Å
59	P	93	Very high	94	Very high	67 Å²	67	29.7 Å²	29.7	44%	0.435	19%	0.189	S	C	.	.			trans	-66.9	167	-178.6	28.4	-35.9	0	0	0	111.8	N55 C57 G61 G62	N55-P59 VanDerWaalsContact O-CA 3.25Å; N55-P59 WeakPolarHBondContact O-CA 3.23Å; N55-P59 WeakPolarHBondContact O-CB 3.34Å; C57-P59 VanDerWaalsContact C-CD 3.49Å; P59-G61 PolarHBondContact O-N 3.13Å; P59-G62 PolarHBondContact O-N 3.5Å
60	Q	88.5	Confident	94	Very high	138 Å²	138	29.2 Å²	29.2	65%	0.645	19%	0.187	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.1	126.4	177.4	-166.4	178.8	10.3	0	0	111.5	F124	Q60-F124 HydrophobicContact CB-CD1 4.48Å; Q60-F124 HydrophobicContact CG-CB 4.36Å
61	G	84.9	Confident	94.2	Very high	79 Å²	79	29.1 Å²	29.1	81%	0.814	19%	0.186	S	C	*	.	T	Hydrogen-bonded Turn	trans	99	-11.2	-173.7	0	0	0	0	0	114.4	P59	P59-G61 PolarHBondContact O-N 3.13Å
62	G	88.4	Confident	94.2	Very high	40 Å²	40	29.3 Å²	29.3	41%	0.412	19%	0.188	S	C	.	.	S	Bend	trans	-83.2	-176.2	168.8	0	0	0	0	0	113.9	P59 F124	P59-G62 PolarHBondContact O-N 3.5Å; G62-F124 WeakPolarHBondContact O-CZ 3.35Å
63	E	93.3	Very high	93.9	Very high	92 Å²	92	34.3 Å²	34.3	43%	0.43	21%	0.207	S	C	.	.			trans	-75.7	122.5	170.2	-71.3	-166.6	-152.7	0	0	110	T58 A65 R97 K98	T58-E63 WeakPolarHBondContact CG2-O 3.43Å; E63-A65 PolarHBondContact O-N 2.83Å; E63-R97 IonicContact OE1-CZ 3.88Å; E63-R97 IonicContact OE1-NH1 3.89Å; E63-R97 PolarHBondContact OE1-NH1 2.86Å; E63-R97 IonicContact OE1-NH2 3.61Å; E63-R97 IonicContact OE2-CZ 2.67Å; E63-R97 IonicContact OE2-NH1 3.01Å; E63-R97 PolarHBondContact OE2-NH1 3.44Å; E63-R97 IonicContact OE2-NH2 2.87Å; E63-R97 PolarHBondContact OE2-NH2 2.63Å; E63-K98 HydrophobicContact CB-CD 4.4Å; E63-K98 HydrophobicContact CB-CG 4.2Å
64	A	95.9	Very high	93.7	Very high	13 Å²	13	36.6 Å²	36.6	11%	0.107	22%	0.221	C	C	.	.			trans	-58.6	134.1	176.5	0	0	0	0	0	111	K98 Y119 F123 F124	A64-K98 WeakPolarHBondContact O-CD 3.47Å; A64-K98 PolarHBondContact O-NZ 2.91Å; A64-Y119 HydrophobicContact CB-CD1 3.72Å; A64-Y119 HydrophobicContact CB-CG 3.84Å; A64-Y119 WeakPolarHBondContact O-CD1 3.25Å; A64-Y119 VanDerWaalsContact O-CE1 3.29Å; A64-Y119 WeakPolarHBondContact O-CE1 3.41Å; A64-F123 HydrophobicContact CB-CB 3.84Å; A64-F123 HydrophobicContact CB-CG 4.31Å; A64-F124 HydrophobicContact CB-CE1 4.37Å; A64-F124 HydrophobicContact CB-CE2 3.93Å; A64-F124 HydrophobicContact CB-CZ 3.65Å
65	A	97	Very high	93.7	Very high	0 Å²	0	37 Å²	37	0%	0	22%	0.224	C	C	.	.			trans	-139.7	144.4	178.2	0	0	0	0	0	111	T58 E63 D93 K98 F99 F123	T58-A65 HydrophobicContact CG2-CB 3.8Å; E63-A65 PolarHBondContact O-N 2.83Å; A65-D93 HydrophobicContact CB-CB 3.99Å; A65-K98 HydrophobicContact CB-CB 4.23Å; A65-K98 HydrophobicContact CB-CD 3.89Å; A65-F99 HydrophobicContact CB-CE2 3.73Å; A65-F99 HydrophobicContact CB-CZ 3.6Å; A65-F123 WeakPolarHBondContact O-CD1 3.37Å
66	G	97.2	Very high	93.6	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	21%	0.213	C	C	.	.			trans	-118.3	138.3	174.6	0	0	0	0	0	111.9	Y52 F90 D93	Y52-G66 CarbonylContact O-C 3.56Å; Y52-G66 WeakPolarHBondContact O-CA 3.32Å; G66-F90 WeakPolarHBondContact O-CE1 3.48Å; G66-D93 PolarHBondContact N-OD2 2.98Å; G66-D93 VanDerWaalsContact N-OD2 3.08Å; G66-D93 WeakPolarHBondContact O-CB 3.43Å; G66-D93 PolarHBondContact O-N 2.75Å
67	V	97.6	Very high	93.5	Very high	1 Å²	1	38.3 Å²	38.3	1%	0.006	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	147.5	177.7	-53.5	0	0	0	0	110.4	L51 Y52 C71 C94 F99	L51-V67 WeakPolarHBondContact CA-O 3.32Å; Y52-V67 PolarHBondContact N-O 3.25Å; Y52-V67 PolarHBondContact O-N 3.13Å; V67-C71 HydrophobicContact CB-CB 4.07Å; V67-C94 HydrophobicContact CB-CB 4.19Å; V67-C94 HydrophobicContact CG1-CB 3.74Å; V67-F99 HydrophobicContact CG1-CE1 4.34Å; V67-F99 HydrophobicContact CG1-CZ 3.78Å
68	C	96.8	Very high	93.3	Very high	3 Å²	3	41 Å²	41	2%	0.02	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	167.8	177.4	68.9	0	0	0	0	111.8	S40 Q49 A70 C71 S72 C92	S40-C68 PolarHBondContact N-SG 2.96Å; S40-C68 WeakPolarHBondContact OG-CB 3.37Å; Q49-C68 VanDerWaalsContact OE1-CB 3.29Å; C68-A70 PolarHBondContact O-N 3.41Å; C68-C71 WeakPolarHBondContact O-CB 3.34Å; C68-C71 PolarHBondContact O-N 3.27Å; C68-C71 VanDerWaalsContact SG-SG 3.65Å; C68-S72 PolarHBondContact O-N 3.28Å; C68-C92 HydrophobicContact CB-CB 4.02Å; C68-C92 PolarHBondContact N-SG 2.89Å; C68-C92 VanDerWaalsContact N-SG 3.42Å; C68-C92 VanDerWaalsContact SG-SG 3.64Å
69	L	93.2	Very high	93.3	Very high	6 Å²	6	44 Å²	44	3%	0.031	27%	0.27	C	S	.	.	H	α-helix	trans	-49.1	-55.2	178.5	-174.5	64.4	0	0	0	113.6	L31 Y52 C71 S72 Y73	L31-L69 HydrophobicContact CB-CD2 4.45Å; L31-L69 HydrophobicContact CD1-CD1 4.33Å; L31-L69 HydrophobicContact CD1-CD2 4.15Å; L31-L69 HydrophobicContact CD2-CD1 3.96Å; L31-L69 HydrophobicContact CD2-CD2 4.31Å; Y52-L69 HydrophobicContact CE2-CB 4.3Å; Y52-L69 HydrophobicContact CE2-CD1 3.75Å; Y52-L69 WeakPolarHBondContact OH-CD1 3.36Å; L69-C71 PolarHBondContact O-N 3.41Å; L69-C71 VanDerWaalsContact O-N 3.09Å; L69-S72 PolarHBondContact O-N 3.29Å; L69-S72 PolarHBondContact O-OG 3.24Å; L69-Y73 HydrophobicContact CD1-CD2 4.32Å; L69-Y73 HydrophobicContact CD1-CE1 4.3Å; L69-Y73 HydrophobicContact CD1-CE2 3.53Å; L69-Y73 WeakPolarHBondContact CD1-OH 3.28Å; L69-Y73 HydrophobicContact CD2-CE2 4.31Å; L69-Y73 HydrophobicContact CG-CD2 4.29Å; L69-Y73 HydrophobicContact CG-CE2 3.74Å; L69-Y73 PolarHBondContact O-N 2.9Å
70	A	92.9	Very high	93.4	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-57.2	-33.5	179.2	0	0	0	0	0	114.3	D35 S36 H38 C68 T74 L106	D35-A70 WeakPolarHBondContact O-CB 3.28Å; D35-A70 PolarHBondContact O-N 3.08Å; S36-A70 VanDerWaalsContact C-CB 3.47Å; S36-A70 VanDerWaalsContact O-CA 3.23Å; S36-A70 WeakPolarHBondContact O-CA 3.25Å; S36-A70 VanDerWaalsContact O-CB 3.27Å; S36-A70 WeakPolarHBondContact O-CB 3.43Å; H38-A70 VanDerWaalsContact C-CB 3.49Å; H38-A70 WeakPolarHBondContact O-CB 3.47Å; C68-A70 PolarHBondContact O-N 3.41Å; A70-T74 VanDerWaalsContact O-CB 3.31Å; A70-T74 WeakPolarHBondContact O-CB 3.41Å; A70-T74 PolarHBondContact O-N 2.83Å; A70-T74 PolarHBondContact O-OG1 3.12Å; A70-T74 VanDerWaalsContact O-OG1 3.13Å; A70-L106 HydrophobicContact CB-CD1 3.48Å; A70-L106 VanDerWaalsContact CB-CD1 3.48Å; A70-L106 WeakPolarHBondContact O-CD1 3.49Å
71	C	96.6	Very high	93.6	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	25%	0.25	C	S	.	.	H	α-helix	trans	-76	-32.3	178.2	-72.2	0	0	0	0	112.5	V67 C68 L69 Y73 C75 H76 C94	V67-C71 HydrophobicContact CB-CB 4.07Å; C68-C71 WeakPolarHBondContact O-CB 3.34Å; C68-C71 PolarHBondContact O-N 3.27Å; C68-C71 VanDerWaalsContact SG-SG 3.65Å; L69-C71 PolarHBondContact O-N 3.41Å; L69-C71 VanDerWaalsContact O-N 3.09Å; C71-Y73 VanDerWaalsContact C-N 3.29Å; C71-Y73 PolarHBondContact O-N 3.07Å; C71-C75 WeakPolarHBondContact O-CA 3.32Å; C71-C75 WeakPolarHBondContact O-CB 3.45Å; C71-C75 PolarHBondContact O-N 3.32Å; C71-H76 PolarHBondContact O-CD2 3.47Å; C71-H76 PolarHBondContact O-N 2.83Å; C71-C94 HydrophobicContact CB-CB 3.84Å
72	S	95.2	Very high	94	Very high	4 Å²	4	38.6 Å²	38.6	3%	0.028	22%	0.22	C	C	.	.	H	α-helix	trans	-61.3	-42	174.3	63	0	0	0	0	110.6	C68 L69 H76 E77	C68-S72 PolarHBondContact O-N 3.28Å; L69-S72 PolarHBondContact O-N 3.29Å; L69-S72 PolarHBondContact O-OG 3.24Å; S72-H76 CarbonylContact O-C 3.54Å; S72-E77 PolarHBondContact O-N 3.39Å
73	Y	88.6	Confident	94.2	Very high	119 Å²	119	42 Å²	42	47%	0.467	23%	0.226	S	C	.	.	H	α-helix	trans	-74.8	-40	177.8	-60.4	-31.9	0	0	0	114.5	L69 C71 E77	L69-Y73 HydrophobicContact CD1-CD2 4.32Å; L69-Y73 HydrophobicContact CD1-CE1 4.3Å; L69-Y73 HydrophobicContact CD1-CE2 3.53Å; L69-Y73 WeakPolarHBondContact CD1-OH 3.28Å; L69-Y73 HydrophobicContact CD2-CE2 4.31Å; L69-Y73 HydrophobicContact CG-CD2 4.29Å; L69-Y73 HydrophobicContact CG-CE2 3.74Å; L69-Y73 PolarHBondContact O-N 2.9Å; C71-Y73 VanDerWaalsContact C-N 3.29Å; C71-Y73 PolarHBondContact O-N 3.07Å; Y73-E77 WeakPolarHBondContact O-CB 3.15Å
74	T	93.7	Very high	94.1	Very high	47 Å²	47	37.7 Å²	37.7	29%	0.288	21%	0.205	S	C	.	.	H	α-helix	trans	-95.4	-38.4	-170.1	-58.4	0	0	0	0	113.8	A70 K105 L106	A70-T74 VanDerWaalsContact O-CB 3.31Å; A70-T74 WeakPolarHBondContact O-CB 3.41Å; A70-T74 PolarHBondContact O-N 2.83Å; A70-T74 PolarHBondContact O-OG1 3.12Å; A70-T74 VanDerWaalsContact O-OG1 3.13Å; T74-K105 HydrophobicContact CG2-CB 4.19Å; T74-K105 HydrophobicContact CG2-CD 4.12Å; T74-K105 PolarHBondContact O-NZ 3.33Å; T74-L106 HydrophobicContact CG2-CD1 4.49Å; T74-L106 HydrophobicContact CG2-CD2 3.9Å; T74-L106 HydrophobicContact CG2-CG 4.03Å
75	C	95.6	Very high	93.8	Very high	11 Å²	11	41.9 Å²	41.9	7%	0.074	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.4	-31.4	-172	-59.5	0	0	0	0	112.1	C71 L102 K105	C71-C75 WeakPolarHBondContact O-CA 3.32Å; C71-C75 WeakPolarHBondContact O-CB 3.45Å; C71-C75 PolarHBondContact O-N 3.32Å; C75-L102 HydrophobicContact CB-CD2 4.39Å; C75-K105 PolarHBondContact SG-N 3.49Å
76	H	94.4	Very high	93.6	Very high	1 Å²	1	42.1 Å²	42.1	1%	0.005	22%	0.221	C	C	.	.	S	Bend	trans	-115.4	24.6	-176.2	-60.1	-86.7	0	0	0	112.6	C71 S72 G78 H79 L81 F99	C71-H76 PolarHBondContact O-CD2 3.47Å; C71-H76 PolarHBondContact O-N 2.83Å; S72-H76 CarbonylContact O-C 3.54Å; H76-G78 PolarHBondContact O-N 3.02Å; H76-H79 HydrophobicContact CB-CB 4.34Å; H76-H79 AromaticContact ND1-ND1 3.57Å; H76-H79 WeakPolarHBondContact O-CB 3.45Å; H76-H79 PolarHBondContact O-N 3.29Å; H76-H79 VanDerWaalsContact O-N 3.13Å; H76-L81 HydrophobicContact CB-CD1 4.36Å; H76-L81 HydrophobicContact CB-CD2 4Å; H76-F99 AromaticContact CE1-CD1 3.93Å; H76-F99 AromaticContact CE1-CE1 3.49Å; H76-F99 VanDerWaalsContact CE1-CE1 3.49Å; H76-F99 WeakPolarHBondContact CE1-CE1 3.21Å; H76-F99 AromaticContact NE2-CE1 3.96Å
77	E	92.7	Very high	93.4	Very high	153 Å²	153	42.5 Å²	42.5	72%	0.715	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57	128.1	173.3	-161.7	-176.1	173.2	0	0	110.3	S72 Y73 H79	S72-E77 PolarHBondContact O-N 3.39Å; Y73-E77 WeakPolarHBondContact O-CB 3.15Å; E77-H79 VanDerWaalsContact C-N 3.26Å; E77-H79 PolarHBondContact O-N 3.26Å
78	G	89.9	Confident	93.3	Very high	85 Å²	85	43.8 Å²	43.8	88%	0.876	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	75.2	6.6	-179.9	0	0	0	0	0	115.3	H76	H76-G78 PolarHBondContact O-N 3.02Å
79	H	94	Very high	93.2	Very high	66 Å²	66	47.4 Å²	47.4	31%	0.306	25%	0.246	S	C	.	.	S	Bend	trans	-86.5	162.1	170	-68.9	-167.1	0	0	0	111.6	C54 C57 H76 E77 L81	C54-H79 PolarHBondContact SG-ND1 3.46Å; C54-H79 VanDerWaalsContact SG-ND1 3.42Å; C57-H79 PolarHBondContact SG-CE1 3.15Å; C57-H79 PolarHBondContact SG-ND1 2.88Å; H76-H79 HydrophobicContact CB-CB 4.34Å; H76-H79 AromaticContact ND1-ND1 3.57Å; H76-H79 WeakPolarHBondContact O-CB 3.45Å; H76-H79 PolarHBondContact O-N 3.29Å; H76-H79 VanDerWaalsContact O-N 3.13Å; E77-H79 VanDerWaalsContact C-N 3.26Å; E77-H79 PolarHBondContact O-N 3.26Å; H79-L81 HydrophobicContact CB-CD2 4.48Å; H79-L81 PolarHBondContact O-N 3.17Å
80	D	94.3	Very high	93.4	Very high	81 Å²	81	47.2 Å²	47.2	43%	0.433	25%	0.245	S	C	.	.			trans	-76.7	113.1	170.1	-175.4	25.1	0	0	0	109.3	C54 N55 T56	C54-D80 CarbonylContact C-O 3.35Å; N55-D80 HydrophobicContact CB-CB 4.17Å; N55-D80 WeakPolarHBondContact CB-OD2 3.47Å; N55-D80 PolarHBondContact N-O 2.94Å; N55-D80 PolarHBondContact ND2-OD2 3.31Å; T56-D80 PolarHBondContact OG1-N 3.07Å
81	L	93.9	Very high	93.6	Very high	47 Å²	47	49 Å²	49	25%	0.246	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	133.1	-174.4	-64.8	-176.6	0	0	0	110.7	A53 C54 H76 H79	A53-L81 CarbonylContact O-C 3.57Å; A53-L81 WeakPolarHBondContact O-CA 3.49Å; C54-L81 HydrophobicContact CB-CD2 3.49Å; C54-L81 VanDerWaalsContact CB-CD2 3.49Å; H76-L81 HydrophobicContact CB-CD1 4.36Å; H76-L81 HydrophobicContact CB-CD2 4Å; H79-L81 HydrophobicContact CB-CD2 4.48Å; H79-L81 PolarHBondContact O-N 3.17Å
82	F	93.8	Very high	93.6	Very high	42 Å²	42	49 Å²	49	18%	0.184	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	122.4	166.5	-53.4	-52	0	0	0	109.5	Y52 A53 N55 L84 G125	Y52-F82 CarbonylContact C-O 3.26Å; Y52-F82 VanDerWaalsContact CA-O 3.29Å; Y52-F82 WeakPolarHBondContact CA-O 3.36Å; A53-F82 HydrophobicContact CB-CB 4.44Å; A53-F82 HydrophobicContact CB-CD2 4.41Å; A53-F82 PolarHBondContact N-O 2.93Å; A53-F82 PolarHBondContact O-N 2.96Å; N55-F82 HydrophobicContact CB-CD2 4.35Å; N55-F82 HydrophobicContact CB-CE2 3.56Å; N55-F82 HydrophobicContact CB-CZ 3.71Å; F82-L84 HydrophobicContact CB-CD2 4.22Å; F82-L84 PolarHBondContact O-N 3.4Å; F82-G125 VanDerWaalsContact CD2-N 3.33Å; F82-G125 VanDerWaalsContact CE2-N 3.34Å
83	E	91.9	Very high	93.7	Very high	112 Å²	112	48.9 Å²	48.9	52%	0.523	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	122.2	172	-48.6	-160.5	149.2	0	0	109.4	Y52	Y52-E83 HydrophobicContact CD1-CB 4.28Å; Y52-E83 HydrophobicContact CD1-CG 3.9Å; Y52-E83 HydrophobicContact CE1-CB 4.14Å; Y52-E83 HydrophobicContact CE1-CG 3.64Å
84	L	91.4	Very high	94.2	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	4.8	-176.5	-55.1	-173.1	0	0	0	112.8	L51 A53 F82 K87 N122 F123	L51-L84 HydrophobicContact CB-CB 4.33Å; L51-L84 WeakPolarHBondContact O-CA 3.3Å; L51-L84 WeakPolarHBondContact O-CB 3.45Å; L51-L84 PolarHBondContact O-N 3.36Å; A53-L84 HydrophobicContact CB-CD1 3.93Å; A53-L84 HydrophobicContact CB-CD2 4.46Å; A53-L84 HydrophobicContact CB-CG 4.32Å; F82-L84 HydrophobicContact CB-CD2 4.22Å; F82-L84 PolarHBondContact O-N 3.4Å; L84-K87 VanDerWaalsContact O-CE 3.29Å; L84-K87 WeakPolarHBondContact O-CE 3.34Å; L84-N122 HydrophobicContact CD2-CB 3.89Å; L84-N122 VanDerWaalsContact CD2-O 3.31Å; L84-N122 WeakPolarHBondContact CD2-O 3.33Å; L84-F123 HydrophobicContact CD1-CD1 3.59Å; L84-F123 HydrophobicContact CD1-CD2 4.07Å; L84-F123 HydrophobicContact CD1-CE1 3.54Å; L84-F123 HydrophobicContact CD1-CE2 4.01Å; L84-F123 HydrophobicContact CD1-CG 3.88Å; L84-F123 HydrophobicContact CD1-CZ 3.77Å
85	Y	89.9	Confident	94.2	Very high	102 Å²	102	41.8 Å²	41.8	40%	0.4	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	54	-160.2	-171	-69.8	-100.2	0	0	0	111.6	V30 L51 W154	V30-Y85 HydrophobicContact CG1-CD1 3.66Å; V30-Y85 HydrophobicContact CG1-CE1 3.8Å; V30-Y85 HydrophobicContact CG2-CD1 4.45Å; V30-Y85 HydrophobicContact CG2-CE1 4.1Å; L51-Y85 PolarHBondContact N-O 3.45Å; Y85-W154 HydrophobicContact CD1-CZ2 4.16Å; Y85-W154 AromaticContact CD2-CE2 3.93Å; Y85-W154 HydrophobicContact CD2-CH2 4.24Å; Y85-W154 AromaticContact CD2-CZ2 3.43Å; Y85-W154 HydrophobicContact CD2-CZ2 3.43Å; Y85-W154 VanDerWaalsContact CD2-CZ2 3.43Å; Y85-W154 HydrophobicContact CE2-CH2 4.36Å; Y85-W154 AromaticContact CE2-CZ2 3.94Å; Y85-W154 HydrophobicContact CE2-CZ2 3.94Å; Y85-W154 HydrophobicContact CG-CH2 4.31Å; Y85-W154 AromaticContact CG-CZ2 3.55Å; Y85-W154 HydrophobicContact CG-CZ2 3.55Å
86	T	91.3	Very high	94.2	Very high	5 Å²	5	41.7 Å²	41.7	3%	0.031	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	127	-179.9	176.4	0	0	0	0	112.6	R48 Q49 V333 Y336	R48-T86 WeakPolarHBondContact CB-OG1 3.42Å; R48-T86 PolarHBondContact NH1-O 3.36Å; R48-T86 PolarHBondContact NH1-OG1 2.98Å; Q49-T86 VanDerWaalsContact O-CA 3.29Å; Q49-T86 WeakPolarHBondContact O-CA 3.23Å; T86-V333 HydrophobicContact CG2-CG1 4Å; T86-V333 HydrophobicContact CG2-CG2 4.15Å; T86-Y336 HydrophobicContact CG2-CD1 3.69Å; T86-Y336 HydrophobicContact CG2-CE1 3.93Å; T86-Y336 HydrophobicContact CG2-CG 4.37Å
87	K	93.9	Very high	94.2	Very high	7 Å²	7	47.9 Å²	47.9	3%	0.03	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	151.4	175.4	-62.6	-67.1	-173.2	167.5	0	111.3	R48 Q49 L51 L84 N122 E152	R48-K87 WeakPolarHBondContact CA-O 3.49Å; Q49-K87 PolarHBondContact N-O 3.26Å; Q49-K87 PolarHBondContact O-N 3.5Å; L51-K87 HydrophobicContact CB-CG 4.42Å; L51-K87 HydrophobicContact CD1-CB 3.54Å; L51-K87 HydrophobicContact CD1-CG 3.76Å; L51-K87 HydrophobicContact CG-CB 4.23Å; L51-K87 HydrophobicContact CG-CG 4.37Å; L84-K87 VanDerWaalsContact O-CE 3.29Å; L84-K87 WeakPolarHBondContact O-CE 3.34Å; K87-N122 PolarHBondContact NZ-OD1 2.87Å; K87-E152 HydrophobicContact CD-CB 3.83Å; K87-E152 WeakPolarHBondContact CD-OE2 3.26Å; K87-E152 PolarHBondContact NZ-O 2.76Å
88	R	94.6	Very high	94.2	Very high	29 Å²	29	42 Å²	42	11%	0.109	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91	147.8	-177	-73.1	175.3	-59	-126.1	-7.4	115	K47 R48 F90 V149 V150 E152 F325 D331	K47-R88 WeakPolarHBondContact O-CA 3.36Å; K47-R88 WeakPolarHBondContact O-CB 3.24Å; K47-R88 WeakPolarHBondContact O-CG 3.49Å; R48-R88 HydrophobicContact CG-CG 3.6Å; R88-F90 PolarHBondContact O-N 3.4Å; R88-V149 VanDerWaalsContact CZ-O 3.24Å; R88-V149 PolarHBondContact NH1-O 2.93Å; R88-V149 PolarHBondContact NH2-O 3.29Å; R88-V150 PolarHBondContact NH2-O 2.92Å; R88-E152 VanDerWaalsContact CG-OE1 3.28Å; R88-E152 WeakPolarHBondContact CG-OE1 3.46Å; R88-E152 IonicContact CZ-OE1 2.93Å; R88-E152 PolarHBondContact N-OE1 3.22Å; R88-E152 VanDerWaalsContact N-OE1 3.15Å; R88-E152 PolarHBondContact N-OE2 3.05Å; R88-E152 VanDerWaalsContact N-OE2 3.13Å; R88-E152 IonicContact NE-OE1 2.72Å; R88-E152 PolarHBondContact NE-OE1 3.21Å; R88-E152 IonicContact NH1-OE1 3.8Å; R88-E152 IonicContact NH2-OE1 3.55Å; R88-E152 PolarHBondContact NH2-OE1 2.99Å; R88-F325 VanDerWaalsContact CZ-CE2 3.49Å; R88-F325 VanDerWaalsContact NH1-CE2 3.26Å; R88-D331 WeakPolarHBondContact CD-OD1 3.46Å; R88-D331 WeakPolarHBondContact CD-OD2 3.5Å; R88-D331 WeakPolarHBondContact CG-OD2 3.26Å; R88-D331 IonicContact CZ-OD1 2.64Å; R88-D331 IonicContact NE-OD1 3.82Å; R88-D331 IonicContact NH1-OD1 3.17Å; R88-D331 PolarHBondContact NH1-OD1 3.48Å
89	N	95.4	Very high	94.3	Very high	78 Å²	78	38.6 Å²	38.6	42%	0.417	18%	0.178	S	C	.	.	E	Extended strand (participates in β ladder)	trans	48.6	48.1	169	-168.9	66.9	0	0	0	112	Y45 V46 K47	Y45-N89 VanDerWaalsContact CB-OD1 3.3Å; Y45-N89 WeakPolarHBondContact CB-OD1 3.38Å; Y45-N89 WeakPolarHBondContact CD1-O 3.36Å; V46-N89 WeakPolarHBondContact O-CA 3.37Å; V46-N89 PolarHBondContact O-N 2.87Å; K47-N89 PolarHBondContact O-N 3.2Å; K47-N89 VanDerWaalsContact O-N 3.13Å
90	F	96.7	Very high	93.8	Very high	3 Å²	3	40.9 Å²	40.9	1%	0.013	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	142.1	-175	-163.6	-81.6	0	0	0	110	V46 Q49 L51 G66 R88 D93 N117 Y119 F123	V46-F90 PolarHBondContact N-O 3.25Å; V46-F90 PolarHBondContact O-N 2.95Å; Q49-F90 PolarHBondContact NE2-O 2.69Å; L51-F90 HydrophobicContact CD1-CB 3.73Å; L51-F90 HydrophobicContact CD1-CD1 3.35Å; L51-F90 HydrophobicContact CD1-CD2 3.62Å; L51-F90 HydrophobicContact CD1-CE1 3.79Å; L51-F90 HydrophobicContact CD1-CE2 4.02Å; L51-F90 HydrophobicContact CD1-CG 3.27Å; L51-F90 HydrophobicContact CD1-CZ 4.11Å; L51-F90 HydrophobicContact CD2-CD1 3.66Å; L51-F90 HydrophobicContact CD2-CE1 4.06Å; L51-F90 HydrophobicContact CD2-CG 4.34Å; L51-F90 HydrophobicContact CG-CD1 4.18Å; L51-F90 HydrophobicContact CG-CG 4.42Å; G66-F90 WeakPolarHBondContact O-CE1 3.48Å; R88-F90 PolarHBondContact O-N 3.4Å; F90-D93 WeakPolarHBondContact CZ-OD2 3.22Å; F90-N117 HydrophobicContact CD2-CB 3.99Å; F90-N117 WeakPolarHBondContact CE1-ND2 3.41Å; F90-N117 HydrophobicContact CE2-CB 3.74Å; F90-N117 HydrophobicContact CZ-CB 4.23Å; F90-N117 WeakPolarHBondContact CZ-ND2 3.46Å; F90-Y119 HydrophobicContact CE2-CD1 4.3Å; F90-Y119 AromaticContact CE2-CE1 3.82Å; F90-Y119 HydrophobicContact CE2-CE1 3.82Å; F90-Y119 AromaticContact CZ-CE1 3.81Å; F90-Y119 HydrophobicContact CZ-CE1 3.81Å; F90-F123 HydrophobicContact CD2-CZ 4.5Å; F90-F123 AromaticContact CE2-CE1 3.91Å; F90-F123 HydrophobicContact CE2-CE1 3.91Å; F90-F123 AromaticContact CE2-CZ 3.74Å; F90-F123 HydrophobicContact CE2-CZ 3.74Å; F90-F123 AromaticContact CZ-CE1 3.99Å; F90-F123 HydrophobicContact CZ-CE1 3.99Å; F90-F123 HydrophobicContact CZ-CZ 4.3Å
91	R	97.4	Very high	93.2	Very high	38 Å²	38	46.1 Å²	46.1	14%	0.143	22%	0.224	C	C	.	.			trans	-118.7	132.8	175.9	-173.8	169.6	-175.9	-148.7	13.2	109.8	Y41 G44 Y45 D93 D111 N114 N117	Y41-R91 HydrophobicContact CD2-CG 3.66Å; Y41-R91 HydrophobicContact CE2-CG 4.03Å; Y41-R91 VanDerWaalsContact CE2-NE 3.33Å; Y41-R91 HydrophobicContact CG-CG 4.35Å; Y41-R91 PolarHBondContact O-NE 3.17Å; Y41-R91 PolarHBondContact OH-NH1 3.3Å; Y41-R91 VanDerWaalsContact OH-NH1 3.1Å; Y41-R91 PolarHBondContact OH-NH2 3.06Å; Y41-R91 VanDerWaalsContact OH-NH2 3.15Å; G44-R91 WeakPolarHBondContact O-CB 3.26Å; G44-R91 WeakPolarHBondContact O-CG 3.39Å; Y45-R91 HydrophobicContact CD1-CB 3.73Å; Y45-R91 HydrophobicContact CE1-CB 3.77Å; Y45-R91 HydrophobicContact CG-CB 4.26Å; R91-D93 PolarHBondContact O-N 3.46Å; R91-D111 IonicContact CZ-OD2 3.79Å; R91-D111 IonicContact NH1-OD2 2.82Å; R91-D111 PolarHBondContact NH1-OD2 3.34Å; R91-D111 IonicContact NH2-OD2 3.91Å; R91-N114 HydrophobicContact CB-CB 4.43Å; R91-N114 VanDerWaalsContact CD-OD1 3.26Å; R91-N114 WeakPolarHBondContact CD-OD1 3.47Å; R91-N114 WeakPolarHBondContact CG-OD1 3.28Å; R91-N114 PolarHBondContact O-ND2 2.88Å; R91-N117 PolarHBondContact N-OD1 2.9Å; R91-N117 PolarHBondContact O-ND2 2.91Å
92	C	97.6	Very high	93	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	22%	0.22	C	C	.	.			trans	-59	120.9	-172.2	176.1	0	0	0	0	113.1	Y41 C68 C94 K110	Y41-C92 VanDerWaalsContact CD2-O 3.25Å; Y41-C92 WeakPolarHBondContact CD2-O 3.27Å; C68-C92 HydrophobicContact CB-CB 4.02Å; C68-C92 PolarHBondContact N-SG 2.89Å; C68-C92 VanDerWaalsContact N-SG 3.42Å; C68-C92 VanDerWaalsContact SG-SG 3.64Å; C92-C94 VanDerWaalsContact SG-CB 3.52Å; C92-K110 PolarHBondContact O-NZ 2.88Å
93	D	97.9	Very high	93.1	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	25%	0.246	C	C	.	.			trans	-79.9	-13.6	-179.5	-69.8	-53	0	0	0	114	A65 G66 F90 R91 G95 N96 K98 F99 N114 N117 Y119	A65-D93 HydrophobicContact CB-CB 3.99Å; G66-D93 PolarHBondContact N-OD2 2.98Å; G66-D93 VanDerWaalsContact N-OD2 3.08Å; G66-D93 WeakPolarHBondContact O-CB 3.43Å; G66-D93 PolarHBondContact O-N 2.75Å; F90-D93 WeakPolarHBondContact CZ-OD2 3.22Å; R91-D93 PolarHBondContact O-N 3.46Å; D93-G95 PolarHBondContact O-N 3.2Å; D93-G95 VanDerWaalsContact O-N 3.11Å; D93-N96 WeakPolarHBondContact CB-ND2 3.29Å; D93-N96 WeakPolarHBondContact O-CB 3.4Å; D93-N96 PolarHBondContact O-N 3.17Å; D93-N96 PolarHBondContact O-ND2 3.15Å; D93-N96 PolarHBondContact O-OD1 3.25Å; D93-N96 PolarHBondContact OD1-ND2 3.1Å; D93-K98 IonicContact OD2-NZ 2.73Å; D93-F99 HydrophobicContact CB-CE2 3.92Å; D93-F99 WeakPolarHBondContact O-CD2 3.32Å; D93-F99 WeakPolarHBondContact O-CE2 3.4Å; D93-N114 PolarHBondContact OD1-ND2 2.66Å; D93-N117 PolarHBondContact OD1-ND2 3.35Å; D93-N117 PolarHBondContact OD2-ND2 3.28Å; D93-Y119 PolarHBondContact OD1-OH 3.5Å; D93-Y119 WeakPolarHBondContact OD2-CE1 3.24Å; D93-Y119 PolarHBondContact OD2-OH 3.27Å
94	C	97.3	Very high	93.3	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-43.2	119.9	-171.9	176.1	0	0	0	0	112.1	V67 C71 C92 N96 C104 K110	V67-C94 HydrophobicContact CB-CB 4.19Å; V67-C94 HydrophobicContact CG1-CB 3.74Å; C71-C94 HydrophobicContact CB-CB 3.84Å; C92-C94 VanDerWaalsContact SG-CB 3.52Å; C94-N96 VanDerWaalsContact C-N 3.33Å; C94-N96 PolarHBondContact O-N 2.86Å; C94-C104 HydrophobicContact CB-CB 4.42Å; C94-C104 WeakPolarHBondContact O-CB 3.36Å; C94-K110 VanDerWaalsContact O-CD 3.24Å; C94-K110 WeakPolarHBondContact O-CD 3.35Å; C94-K110 VanDerWaalsContact O-CE 3.25Å; C94-K110 WeakPolarHBondContact O-CE 3.49Å; C94-K110 PolarHBondContact O-NZ 2.97Å
95	G	94.6	Very high	93.5	Very high	18 Å²	18	52.8 Å²	52.8	19%	0.186	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	73.9	10.6	176.5	0	0	0	0	0	117.3	D93 F99 L102	D93-G95 PolarHBondContact O-N 3.2Å; D93-G95 VanDerWaalsContact O-N 3.11Å; G95-F99 VanDerWaalsContact N-CD2 3.31Å; G95-L102 VanDerWaalsContact CA-O 3.27Å; G95-L102 WeakPolarHBondContact CA-O 3.11Å
96	N	94.8	Very high	93.8	Very high	8 Å²	8	50.7 Å²	50.7	4%	0.043	25%	0.248	C	C	.	.	S	Bend	trans	-77.3	-174.4	164.8	74	14.3	0	0	0	111.3	D93 C94 K98 F99	D93-N96 WeakPolarHBondContact CB-ND2 3.29Å; D93-N96 WeakPolarHBondContact O-CB 3.4Å; D93-N96 PolarHBondContact O-N 3.17Å; D93-N96 PolarHBondContact O-ND2 3.15Å; D93-N96 PolarHBondContact O-OD1 3.25Å; D93-N96 PolarHBondContact OD1-ND2 3.1Å; C94-N96 VanDerWaalsContact C-N 3.33Å; C94-N96 PolarHBondContact O-N 2.86Å; N96-K98 PolarHBondContact O-N 3.24Å; N96-K98 WeakPolarHBondContact OD1-CB 3.19Å; N96-K98 VanDerWaalsContact OD1-CG 3.31Å; N96-K98 WeakPolarHBondContact OD1-CG 3.42Å; N96-K98 PolarHBondContact OD1-N 3.22Å; N96-F99 PolarHBondContact O-N 3.33Å
97	R	94.1	Very high	94	Very high	132 Å²	132	53 Å²	53	50%	0.498	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-16.1	-174.6	86.2	-173.4	170.2	66.4	15.6	115	E63 F99 D112	E63-R97 IonicContact OE1-CZ 3.88Å; E63-R97 IonicContact OE1-NH1 3.89Å; E63-R97 PolarHBondContact OE1-NH1 2.86Å; E63-R97 IonicContact OE1-NH2 3.61Å; E63-R97 IonicContact OE2-CZ 2.67Å; E63-R97 IonicContact OE2-NH1 3.01Å; E63-R97 PolarHBondContact OE2-NH1 3.44Å; E63-R97 IonicContact OE2-NH2 2.87Å; E63-R97 PolarHBondContact OE2-NH2 2.63Å; R97-F99 PolarHBondContact O-N 3.29Å; R97-D112 WeakPolarHBondContact CB-O 3.41Å; R97-D112 WeakPolarHBondContact CD-O 3.39Å; R97-D112 WeakPolarHBondContact CG-O 2.85Å; R97-D112 PolarHBondContact N-O 3.37Å
98	K	93.5	Very high	94	Very high	29 Å²	29	56.7 Å²	56.7	13%	0.126	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.1	-16.7	177.7	-59.5	-177.8	171.2	-170	0	112.5	E63 A64 A65 D93 N96 Y119	E63-K98 HydrophobicContact CB-CD 4.4Å; E63-K98 HydrophobicContact CB-CG 4.2Å; A64-K98 WeakPolarHBondContact O-CD 3.47Å; A64-K98 PolarHBondContact O-NZ 2.91Å; A65-K98 HydrophobicContact CB-CB 4.23Å; A65-K98 HydrophobicContact CB-CD 3.89Å; D93-K98 IonicContact OD2-NZ 2.73Å; N96-K98 PolarHBondContact O-N 3.24Å; N96-K98 WeakPolarHBondContact OD1-CB 3.19Å; N96-K98 VanDerWaalsContact OD1-CG 3.31Å; N96-K98 WeakPolarHBondContact OD1-CG 3.42Å; N96-K98 PolarHBondContact OD1-N 3.22Å; K98-Y119 PolarHBondContact NZ-OH 2.93Å
99	F	92.9	Very high	94	Very high	13 Å²	13	63.2 Å²	63.2	6%	0.057	32%	0.315	C	S	.	.			trans	-104	116.8	177.8	-61.2	-94.7	0	0	0	108.4	C57 T58 A65 V67 H76 D93 G95 N96 R97 L102	C57-F99 HydrophobicContact CB-CD1 3.72Å; C57-F99 HydrophobicContact CB-CE1 3.81Å; T58-F99 HydrophobicContact CG2-CE1 4.35Å; A65-F99 HydrophobicContact CB-CE2 3.73Å; A65-F99 HydrophobicContact CB-CZ 3.6Å; V67-F99 HydrophobicContact CG1-CE1 4.34Å; V67-F99 HydrophobicContact CG1-CZ 3.78Å; H76-F99 AromaticContact CE1-CD1 3.93Å; H76-F99 AromaticContact CE1-CE1 3.49Å; H76-F99 VanDerWaalsContact CE1-CE1 3.49Å; H76-F99 WeakPolarHBondContact CE1-CE1 3.21Å; H76-F99 AromaticContact NE2-CE1 3.96Å; D93-F99 HydrophobicContact CB-CE2 3.92Å; D93-F99 WeakPolarHBondContact O-CD2 3.32Å; D93-F99 WeakPolarHBondContact O-CE2 3.4Å; G95-F99 VanDerWaalsContact N-CD2 3.31Å; N96-F99 PolarHBondContact O-N 3.33Å; R97-F99 PolarHBondContact O-N 3.29Å; F99-L102 HydrophobicContact CB-CB 4.24Å; F99-L102 HydrophobicContact CD1-CD2 4.34Å
100	S	83.3	Confident	93.9	Very high	114 Å²	114	61.2 Å²	61.2	80%	0.797	30%	0.303	S	S	*	.	S	Bend	trans	-72.6	-38.6	-174.3	45.5	0	0	0	0	113.6
101	E	80.8	Confident	93.8	Very high	191 Å²	191	65.4 Å²	65.4	89%	0.893	33%	0.325	S	S	*	.	S	Bend	trans	-126.3	-0.4	-171.6	-60.9	-172.6	171.9	0	0	113.5
102	L	91	Very high	93.6	Very high	33 Å²	33	69.5 Å²	69.5	17%	0.173	35%	0.35	C	S	.	.			trans	-113.5	126.1	-172.5	-172.9	148.3	0	0	0	110.5	C75 G95 F99	C75-L102 HydrophobicContact CB-CD2 4.39Å; G95-L102 VanDerWaalsContact CA-O 3.27Å; G95-L102 WeakPolarHBondContact CA-O 3.11Å; F99-L102 HydrophobicContact CB-CB 4.24Å; F99-L102 HydrophobicContact CD1-CD2 4.34Å
103	Q	94	Very high	93.3	Very high	156 Å²	156	71 Å²	71	73%	0.729	36%	0.362	S	S	*	.			trans	-107	146.3	169.3	-68.8	-175.7	-0.2	0	0	110	K105	Q103-K105 PolarHBondContact O-N 2.95Å
104	C	96.8	Very high	93.3	Very high	3 Å²	3	71.2 Å²	71.2	2%	0.02	36%	0.364	C	S	.	.			trans	-71	117	178.4	-179.9	0	0	0	0	110.4	C94 L106 H107 P108	C94-C104 HydrophobicContact CB-CB 4.42Å; C94-C104 WeakPolarHBondContact O-CB 3.36Å; C104-L106 VanDerWaalsContact C-N 3.28Å; C104-L106 PolarHBondContact O-N 3.08Å; C104-H107 VanDerWaalsContact CB-O 3.28Å; C104-H107 WeakPolarHBondContact CB-O 3.45Å; C104-H107 CarbonylContact O-C 3.56Å; C104-H107 PolarHBondContact SG-N 3.29Å; C104-H107 PolarHBondContact SG-O 3.36Å; C104-P108 WeakPolarHBondContact O-CA 3.34Å; C104-P108 WeakPolarHBondContact O-CG 3.49Å
105	K	96.4	Very high	93.2	Very high	149 Å²	149	76.9 Å²	76.9	65%	0.648	40%	0.399	S	S	*	.	S	Bend	trans	-67.6	-28.9	178.3	-60.4	177	-170.3	161.5	0	112.9	T74 C75 Q103	T74-K105 HydrophobicContact CG2-CB 4.19Å; T74-K105 HydrophobicContact CG2-CD 4.12Å; T74-K105 PolarHBondContact O-NZ 3.33Å; C75-K105 PolarHBondContact SG-N 3.49Å; Q103-K105 PolarHBondContact O-N 2.95Å
106	L	95.9	Very high	93.2	Very high	58 Å²	58	80.6 Å²	80.6	30%	0.304	41%	0.414	S	S	.	.	S	Bend	trans	-87.6	-28.7	-175.2	-62.7	178.8	0	0	0	113.1	D37 C39 A70 T74 C104	D37-L106 WeakPolarHBondContact O-CD2 3.47Å; C39-L106 HydrophobicContact CB-CB 3.79Å; C39-L106 HydrophobicContact CB-CD1 4.37Å; A70-L106 HydrophobicContact CB-CD1 3.48Å; A70-L106 VanDerWaalsContact CB-CD1 3.48Å; A70-L106 WeakPolarHBondContact O-CD1 3.49Å; T74-L106 HydrophobicContact CG2-CD1 4.49Å; T74-L106 HydrophobicContact CG2-CD2 3.9Å; T74-L106 HydrophobicContact CG2-CG 4.03Å; C104-L106 VanDerWaalsContact C-N 3.28Å; C104-L106 PolarHBondContact O-N 3.08Å
107	H	95.9	Very high	93.3	Very high	53 Å²	53	80.8 Å²	80.8	25%	0.245	42%	0.415	C	S	.	.			trans	-154.7	88.8	178	-164.2	62.2	0	0	0	110.2	C39 Y41 C104 E109 K110	C39-H107 HydrophobicContact CB-CB 3.99Å; Y41-H107 AromaticContact CD1-CD2 3.26Å; Y41-H107 WeakPolarHBondContact CD1-CD2 3.16Å; Y41-H107 AromaticContact CD1-NE2 3.58Å; Y41-H107 AromaticContact CE1-CD2 3.93Å; Y41-H107 AromaticContact CE1-NE2 3.96Å; C104-H107 VanDerWaalsContact CB-O 3.28Å; C104-H107 WeakPolarHBondContact CB-O 3.45Å; C104-H107 CarbonylContact O-C 3.56Å; C104-H107 PolarHBondContact SG-N 3.29Å; C104-H107 PolarHBondContact SG-O 3.36Å; H107-E109 PolarHBondContact CD2-O 3.21Å; H107-E109 VanDerWaalsContact CD2-O 3.3Å; H107-E109 PolarHBondContact NE2-O 3.29Å; H107-K110 VanDerWaalsContact O-CE 3.23Å; H107-K110 WeakPolarHBondContact O-CE 3.47Å
108	P	93.8	Very high	93.4	Very high	85 Å²	85	82.4 Å²	82.4	55%	0.552	43%	0.425	S	S	*	.			trans	-70.4	-31.9	-172.9	-21.5	33.2	0	0	0	114.1	C104 K110	C104-P108 WeakPolarHBondContact O-CA 3.34Å; C104-P108 WeakPolarHBondContact O-CG 3.49Å; P108-K110 PolarHBondContact O-N 2.86Å
109	E	93.2	Very high	93.5	Very high	167 Å²	167	84.5 Å²	84.5	78%	0.78	43%	0.433	S	S	*	.			trans	-85	104	-175.4	-65.9	-178.1	-175.7	0	0	110.6	H107	H107-E109 PolarHBondContact CD2-O 3.21Å; H107-E109 VanDerWaalsContact CD2-O 3.3Å; H107-E109 PolarHBondContact NE2-O 3.29Å
110	K	94.8	Very high	93.5	Very high	35 Å²	35	85.5 Å²	85.5	15%	0.152	44%	0.441	C	S	.	.			trans	-134.2	156.9	179.2	-61.7	-169.7	177.1	-174.1	0	111.7	Y41 C92 C94 H107 P108	Y41-K110 HydrophobicContact CD1-CD 4.29Å; Y41-K110 HydrophobicContact CD1-CG 3.88Å; Y41-K110 HydrophobicContact CD2-CB 4.49Å; Y41-K110 HydrophobicContact CD2-CD 3.63Å; Y41-K110 HydrophobicContact CD2-CG 3.96Å; Y41-K110 HydrophobicContact CE1-CB 4.04Å; Y41-K110 HydrophobicContact CE1-CD 4.44Å; Y41-K110 HydrophobicContact CE1-CG 3.71Å; Y41-K110 HydrophobicContact CE2-CB 3.86Å; Y41-K110 HydrophobicContact CE2-CD 3.83Å; Y41-K110 HydrophobicContact CE2-CG 3.82Å; Y41-K110 HydrophobicContact CG-CD 3.85Å; Y41-K110 HydrophobicContact CG-CG 3.97Å; Y41-K110 WeakPolarHBondContact OH-CA 3.41Å; C92-K110 PolarHBondContact O-NZ 2.88Å; C94-K110 VanDerWaalsContact O-CD 3.24Å; C94-K110 WeakPolarHBondContact O-CD 3.35Å; C94-K110 VanDerWaalsContact O-CE 3.25Å; C94-K110 WeakPolarHBondContact O-CE 3.49Å; C94-K110 PolarHBondContact O-NZ 2.97Å; H107-K110 VanDerWaalsContact O-CE 3.23Å; H107-K110 WeakPolarHBondContact O-CE 3.47Å; P108-K110 PolarHBondContact O-N 2.86Å
111	D	94.8	Very high	94.1	Very high	91 Å²	91	82.2 Å²	82.2	49%	0.487	41%	0.413	S	S	.	.			trans	-67.1	148.6	168.8	-59.3	-38.7	0	0	0	108.2	Y41 R91 A113	Y41-D111 WeakPolarHBondContact OH-CB 3.42Å; Y41-D111 PolarHBondContact OH-N 3.43Å; Y41-D111 PolarHBondContact OH-OD2 3.36Å; R91-D111 IonicContact CZ-OD2 3.79Å; R91-D111 IonicContact NH1-OD2 2.82Å; R91-D111 PolarHBondContact NH1-OD2 3.34Å; R91-D111 IonicContact NH2-OD2 3.91Å; D111-A113 PolarHBondContact O-N 3.18Å; D111-A113 VanDerWaalsContact O-N 3.13Å
112	D	92.1	Very high	94.8	Very high	124 Å²	124	73.1 Å²	73.1	66%	0.663	37%	0.371	S	S	*	.	S	Bend	trans	-53.9	-36.4	-179.8	-79.2	-8.4	0	0	0	112.8	R97	R97-D112 WeakPolarHBondContact CB-O 3.41Å; R97-D112 WeakPolarHBondContact CD-O 3.39Å; R97-D112 WeakPolarHBondContact CG-O 2.85Å; R97-D112 PolarHBondContact N-O 3.37Å
113	A	92.6	Very high	95.1	Very high	31 Å²	31	71.7 Å²	71.7	26%	0.256	36%	0.363	S	S	.	.			trans	-152.9	146.8	176.9	0	0	0	0	0	113	D111 T115	D111-A113 PolarHBondContact O-N 3.18Å; D111-A113 VanDerWaalsContact O-N 3.13Å; A113-T115 PolarHBondContact O-N 2.86Å
114	N	96.3	Very high	95.2	Very high	5 Å²	5	66.4 Å²	66.4	3%	0.027	34%	0.338	C	S	.	.			trans	-89.5	97.5	170.3	-64	-56.9	0	0	0	110	Y45 R91 D93 L116 N117	Y45-N114 HydrophobicContact CE1-CB 4.33Å; R91-N114 HydrophobicContact CB-CB 4.43Å; R91-N114 VanDerWaalsContact CD-OD1 3.26Å; R91-N114 WeakPolarHBondContact CD-OD1 3.47Å; R91-N114 WeakPolarHBondContact CG-OD1 3.28Å; R91-N114 PolarHBondContact O-ND2 2.88Å; D93-N114 PolarHBondContact OD1-ND2 2.66Å; N114-L116 VanDerWaalsContact C-N 3.32Å; N114-L116 PolarHBondContact O-N 3.4Å; N114-N117 HydrophobicContact CB-CB 4.25Å; N114-N117 VanDerWaalsContact CB-ND2 3.29Å; N114-N117 WeakPolarHBondContact CB-ND2 3.39Å; N114-N117 PolarHBondContact O-N 3.1Å
115	T	94.9	Very high	95.1	Very high	120 Å²	120	66.5 Å²	66.5	74%	0.736	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.9	-19.5	-171.9	53.8	0	0	0	0	114.9	Y45 A113	Y45-T115 PolarHBondContact OH-N 3.27Å; A113-T115 PolarHBondContact O-N 2.86Å
116	L	95.6	Very high	95	Very high	96 Å²	96	60.8 Å²	60.8	50%	0.503	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.4	-6.8	178.3	-49.2	178.2	0	0	0	113.3	Y45 N114	Y45-L116 HydrophobicContact CD1-CB 4.08Å; Y45-L116 HydrophobicContact CD2-CD1 3.99Å; Y45-L116 HydrophobicContact CE1-CB 3.53Å; Y45-L116 HydrophobicContact CE1-CD1 4.47Å; Y45-L116 HydrophobicContact CE1-CG 4.26Å; Y45-L116 HydrophobicContact CE2-CB 4.21Å; Y45-L116 HydrophobicContact CE2-CD1 3.69Å; Y45-L116 HydrophobicContact CE2-CG 4.07Å; Y45-L116 HydrophobicContact CG-CD1 4.49Å; Y45-L116 PolarHBondContact OH-N 3.4Å; N114-L116 VanDerWaalsContact C-N 3.32Å; N114-L116 PolarHBondContact O-N 3.4Å
117	N	96.9	Very high	95	Very high	11 Å²	11	58.8 Å²	58.8	6%	0.059	30%	0.304	C	S	.	.			trans	-65.1	140.4	174.6	-77.6	2.1	0	0	0	110	Y45 F90 R91 D93 N114 Y119	Y45-N117 WeakPolarHBondContact CE1-OD1 3.37Å; F90-N117 HydrophobicContact CD2-CB 3.99Å; F90-N117 WeakPolarHBondContact CE1-ND2 3.41Å; F90-N117 HydrophobicContact CE2-CB 3.74Å; F90-N117 HydrophobicContact CZ-CB 4.23Å; F90-N117 WeakPolarHBondContact CZ-ND2 3.46Å; R91-N117 PolarHBondContact N-OD1 2.9Å; R91-N117 PolarHBondContact O-ND2 2.91Å; D93-N117 PolarHBondContact OD1-ND2 3.35Å; D93-N117 PolarHBondContact OD2-ND2 3.28Å; N114-N117 HydrophobicContact CB-CB 4.25Å; N114-N117 VanDerWaalsContact CB-ND2 3.29Å; N114-N117 WeakPolarHBondContact CB-ND2 3.39Å; N114-N117 PolarHBondContact O-N 3.1Å; N117-Y119 HydrophobicContact CB-CE1 4.18Å; N117-Y119 HydrophobicContact CB-CE2 3.6Å; N117-Y119 WeakPolarHBondContact CB-OH 3.47Å; N117-Y119 PolarHBondContact ND2-OH 2.88Å; N117-Y119 WeakPolarHBondContact O-CE2 3.35Å
118	K	95.3	Very high	94.9	Very high	166 Å²	166	56.3 Å²	56.3	72%	0.722	29%	0.293	S	S	*	.			trans	-110.5	136	175.2	-63.9	-178.9	-177.6	177.4	0	109.5
119	Y	95.5	Very high	94.9	Very high	73 Å²	73	57 Å²	57	29%	0.286	30%	0.296	S	S	.	.			trans	-123.7	130.8	-177	-50.2	-88.8	0	0	0	109.7	A64 F90 D93 K98 N117 F123	A64-Y119 HydrophobicContact CB-CD1 3.72Å; A64-Y119 HydrophobicContact CB-CG 3.84Å; A64-Y119 WeakPolarHBondContact O-CD1 3.25Å; A64-Y119 VanDerWaalsContact O-CE1 3.29Å; A64-Y119 WeakPolarHBondContact O-CE1 3.41Å; F90-Y119 HydrophobicContact CE2-CD1 4.3Å; F90-Y119 AromaticContact CE2-CE1 3.82Å; F90-Y119 HydrophobicContact CE2-CE1 3.82Å; F90-Y119 AromaticContact CZ-CE1 3.81Å; F90-Y119 HydrophobicContact CZ-CE1 3.81Å; D93-Y119 PolarHBondContact OD1-OH 3.5Å; D93-Y119 WeakPolarHBondContact OD2-CE1 3.24Å; D93-Y119 PolarHBondContact OD2-OH 3.27Å; K98-Y119 PolarHBondContact NZ-OH 2.93Å; N117-Y119 HydrophobicContact CB-CE1 4.18Å; N117-Y119 HydrophobicContact CB-CE2 3.6Å; N117-Y119 WeakPolarHBondContact CB-OH 3.47Å; N117-Y119 PolarHBondContact ND2-OH 2.88Å; N117-Y119 WeakPolarHBondContact O-CE2 3.35Å; Y119-F123 AromaticContact CD1-CD1 3.89Å; Y119-F123 HydrophobicContact CD1-CD1 3.89Å; Y119-F123 HydrophobicContact CD1-CD2 4.35Å; Y119-F123 AromaticContact CD1-CE1 3.77Å; Y119-F123 HydrophobicContact CD1-CE1 3.77Å; Y119-F123 HydrophobicContact CD1-CE2 4.26Å; Y119-F123 HydrophobicContact CD1-CG 4.16Å; Y119-F123 AromaticContact CD1-CZ 3.96Å; Y119-F123 HydrophobicContact CD1-CZ 3.96Å; Y119-F123 HydrophobicContact CE1-CE1 4.25Å
120	S	94.4	Very high	95	Very high	34 Å²	34	51.1 Å²	51.1	24%	0.238	27%	0.272	C	S	.	.			trans	-108.9	-179.4	171.5	67.1	0	0	0	0	110	N122 F123	S120-N122 PolarHBondContact O-N 2.87Å; S120-N122 WeakPolarHBondContact OG-CB 3.46Å; S120-N122 PolarHBondContact OG-N 3.39Å; S120-N122 PolarHBondContact OG-OD1 3.38Å; S120-F123 WeakPolarHBondContact O-CD2 3.39Å; S120-F123 PolarHBondContact O-N 3.33Å
121	H	95.1	Very high	95	Very high	45 Å²	45	57.7 Å²	57.7	21%	0.208	30%	0.296	C	S	.	.	G	3₁₀ helix	trans	-66.1	-11.5	172	54.3	67.2	0	0	0	113.5	F123 F124 L126 D153	H121-F123 PolarHBondContact O-N 3.38Å; H121-F124 PolarHBondContact O-N 3.02Å; H121-L126 CarbonylContact C-O 3.56Å; H121-L126 VanDerWaalsContact C-O 3.26Å; H121-L126 HydrophobicContact CB-CB 4.13Å; H121-L126 PolarHBondContact ND1-O 3.47Å; H121-L126 PolarHBondContact O-N 2.64Å; H121-D153 IonicContact CE1-OD1 3.37Å; H121-D153 PolarHBondContact CE1-OD1 2.86Å; H121-D153 IonicContact CE1-OD2 3.57Å; H121-D153 PolarHBondContact CE1-OD2 3.36Å; H121-D153 VanDerWaalsContact CE1-OD2 3.25Å; H121-D153 IonicContact ND1-OD1 3.54Å; H121-D153 IonicContact NE2-OD1 2.66Å; H121-D153 IonicContact NE2-OD2 3.76Å; H121-D153 PolarHBondContact NE2-OD2 2.97Å
122	N	95.8	Very high	94.8	Very high	0 Å²	0	58.5 Å²	58.5	0%	0	29%	0.292	C	S	.	.	G	3₁₀ helix	trans	-61.4	-29.6	174.4	-48	139.2	0	0	0	111.9	L84 K87 S120 F124 G125 L126 Y127 D153	L84-N122 HydrophobicContact CD2-CB 3.89Å; L84-N122 VanDerWaalsContact CD2-O 3.31Å; L84-N122 WeakPolarHBondContact CD2-O 3.33Å; K87-N122 PolarHBondContact NZ-OD1 2.87Å; S120-N122 PolarHBondContact O-N 2.87Å; S120-N122 WeakPolarHBondContact OG-CB 3.46Å; S120-N122 PolarHBondContact OG-N 3.39Å; S120-N122 PolarHBondContact OG-OD1 3.38Å; N122-F124 PolarHBondContact O-N 2.95Å; N122-F124 VanDerWaalsContact O-N 3.07Å; N122-G125 PolarHBondContact O-N 2.67Å; N122-L126 WeakPolarHBondContact CA-O 3.24Å; N122-L126 PolarHBondContact N-O 3.27Å; N122-L126 PolarHBondContact ND2-O 3.47Å; N122-Y127 HydrophobicContact CB-CD1 4.19Å; N122-Y127 HydrophobicContact CB-CE1 3.9Å; N122-Y127 WeakPolarHBondContact ND2-CD1 3.36Å; N122-D153 PolarHBondContact ND2-OD1 3.16Å; N122-D153 PolarHBondContact OD1-OD1 3.44Å
123	F	96.8	Very high	94.8	Very high	3 Å²	3	55.1 Å²	55.1	1%	0.013	28%	0.277	C	S	.	.	G	3₁₀ helix	trans	-67.6	-6.8	176.6	-69.5	-98.6	0	0	0	113.4	A53 A64 A65 L84 F90 Y119 S120 H121	A53-F123 HydrophobicContact CB-CB 4.23Å; A53-F123 HydrophobicContact CB-CD1 4.1Å; A53-F123 WeakPolarHBondContact CB-O 3.47Å; A64-F123 HydrophobicContact CB-CB 3.84Å; A64-F123 HydrophobicContact CB-CG 4.31Å; A65-F123 WeakPolarHBondContact O-CD1 3.37Å; L84-F123 HydrophobicContact CD1-CD1 3.59Å; L84-F123 HydrophobicContact CD1-CD2 4.07Å; L84-F123 HydrophobicContact CD1-CE1 3.54Å; L84-F123 HydrophobicContact CD1-CE2 4.01Å; L84-F123 HydrophobicContact CD1-CG 3.88Å; L84-F123 HydrophobicContact CD1-CZ 3.77Å; F90-F123 HydrophobicContact CD2-CZ 4.5Å; F90-F123 AromaticContact CE2-CE1 3.91Å; F90-F123 HydrophobicContact CE2-CE1 3.91Å; F90-F123 AromaticContact CE2-CZ 3.74Å; F90-F123 HydrophobicContact CE2-CZ 3.74Å; F90-F123 AromaticContact CZ-CE1 3.99Å; F90-F123 HydrophobicContact CZ-CE1 3.99Å; F90-F123 HydrophobicContact CZ-CZ 4.3Å; Y119-F123 AromaticContact CD1-CD1 3.89Å; Y119-F123 HydrophobicContact CD1-CD1 3.89Å; Y119-F123 HydrophobicContact CD1-CD2 4.35Å; Y119-F123 AromaticContact CD1-CE1 3.77Å; Y119-F123 HydrophobicContact CD1-CE1 3.77Å; Y119-F123 HydrophobicContact CD1-CE2 4.26Å; Y119-F123 HydrophobicContact CD1-CG 4.16Å; Y119-F123 AromaticContact CD1-CZ 3.96Å; Y119-F123 HydrophobicContact CD1-CZ 3.96Å; Y119-F123 HydrophobicContact CE1-CE1 4.25Å; S120-F123 WeakPolarHBondContact O-CD2 3.39Å; S120-F123 PolarHBondContact O-N 3.33Å; H121-F123 PolarHBondContact O-N 3.38Å
124	F	96.4	Very high	94.4	Very high	46 Å²	46	59.6 Å²	59.6	20%	0.202	29%	0.288	C	S	.	.	G	3₁₀ helix	trans	-118	20.1	173.2	-55.8	-67.7	0	0	0	111.8	Q60 G62 A64 H121 N122 L126	Q60-F124 HydrophobicContact CB-CD1 4.48Å; Q60-F124 HydrophobicContact CG-CB 4.36Å; G62-F124 WeakPolarHBondContact O-CZ 3.35Å; A64-F124 HydrophobicContact CB-CE1 4.37Å; A64-F124 HydrophobicContact CB-CE2 3.93Å; A64-F124 HydrophobicContact CB-CZ 3.65Å; H121-F124 PolarHBondContact O-N 3.02Å; N122-F124 PolarHBondContact O-N 2.95Å; N122-F124 VanDerWaalsContact O-N 3.07Å; F124-L126 PolarHBondContact O-N 2.95Å
125	G	94.2	Very high	93.7	Very high	4 Å²	4	64.5 Å²	64.5	4%	0.041	32%	0.321	C	S	.	.	T	Hydrogen-bonded Turn	trans	68.5	21.9	178.4	0	0	0	0	0	113.6	F82 N122 Y127 P133	F82-G125 VanDerWaalsContact CD2-N 3.33Å; F82-G125 VanDerWaalsContact CE2-N 3.34Å; N122-G125 PolarHBondContact O-N 2.67Å; G125-Y127 VanDerWaalsContact C-CE2 3.49Å; G125-Y127 WeakPolarHBondContact O-CE2 3.45Å; G125-P133 VanDerWaalsContact O-CA 3.24Å; G125-P133 WeakPolarHBondContact O-CA 3.44Å
126	L	95.4	Very high	93.3	Very high	30 Å²	30	59.8 Å²	59.8	16%	0.157	29%	0.291	C	S	.	.			trans	-109.3	144.4	174.9	-58.7	178.7	0	0	0	110	H121 N122 F124	H121-L126 CarbonylContact C-O 3.56Å; H121-L126 VanDerWaalsContact C-O 3.26Å; H121-L126 HydrophobicContact CB-CB 4.13Å; H121-L126 PolarHBondContact ND1-O 3.47Å; H121-L126 PolarHBondContact O-N 2.64Å; N122-L126 WeakPolarHBondContact CA-O 3.24Å; N122-L126 PolarHBondContact N-O 3.27Å; N122-L126 PolarHBondContact ND2-O 3.47Å; F124-L126 PolarHBondContact O-N 2.95Å
127	Y	94.7	Very high	92.9	Very high	16 Å²	16	60.6 Å²	60.6	6%	0.063	30%	0.302	C	S	.	.	B	Isolated β-bridge	trans	-139.2	161.3	-174.8	-53.1	-89.5	0	0	0	111.5	N122 G125 R131 R132 M145 W154	N122-Y127 HydrophobicContact CB-CD1 4.19Å; N122-Y127 HydrophobicContact CB-CE1 3.9Å; N122-Y127 WeakPolarHBondContact ND2-CD1 3.36Å; G125-Y127 VanDerWaalsContact C-CE2 3.49Å; G125-Y127 WeakPolarHBondContact O-CE2 3.45Å; Y127-R131 WeakPolarHBondContact O-CA 3.34Å; Y127-R131 PolarHBondContact O-N 3.23Å; Y127-R131 VanDerWaalsContact O-N 3.15Å; Y127-R132 PolarHBondContact N-O 3.41Å; Y127-R132 PolarHBondContact O-N 2.67Å; Y127-M145 HydrophobicContact CG-CE 4.42Å; Y127-W154 HydrophobicContact CD1-CB 3.98Å; Y127-W154 HydrophobicContact CD1-CG 4.41Å
128	C	94.9	Very high	92.5	Very high	0 Å²	0	67 Å²	67	0%	0	34%	0.336	C	S	.	.	T	Hydrogen-bonded Turn	trans	60	172.6	177.5	-169.8	0	0	0	0	113.5	C130 R131 M145 W154 H156 H159	C128-C130 PolarHBondContact O-N 3.43Å; C128-C130 VanDerWaalsContact O-N 3.16Å; C128-R131 PolarHBondContact O-N 2.73Å; C128-M145 HydrophobicContact CB-CE 4.37Å; C128-W154 WeakPolarHBondContact CA-O 3.35Å; C128-W154 PolarHBondContact N-O 2.71Å; C128-H156 WeakPolarHBondContact CB-ND1 3.44Å; C128-H156 PolarHBondContact SG-N 2.89Å; C128-H156 VanDerWaalsContact SG-N 3.44Å; C128-H159 VanDerWaalsContact SG-CB 3.54Å; C128-H159 PolarHBondContact SG-ND1 2.95Å
129	T	94.3	Very high	92	Very high	101 Å²	101	60.7 Å²	60.7	62%	0.62	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.8	-21.1	174.3	54.1	0	0	0	0	112.7	R131 L155	T129-R131 VanDerWaalsContact C-N 3.32Å; T129-L155 HydrophobicContact CG2-CD2 4.33Å
130	C	93.9	Very high	91.4	Very high	42 Å²	42	66.3 Å²	66.3	28%	0.284	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.6	-12.6	175.5	64	0	0	0	0	114.1	C128 R132 H156	C128-C130 PolarHBondContact O-N 3.43Å; C128-C130 VanDerWaalsContact O-N 3.16Å; C130-R132 VanDerWaalsContact C-N 3.34Å; C130-R132 HydrophobicContact CB-CG 4.21Å; C130-R132 PolarHBondContact O-N 2.96Å; C130-H156 VanDerWaalsContact SG-CE1 3.55Å; C130-H156 PolarHBondContact SG-ND1 2.93Å; C130-H156 VanDerWaalsContact SG-ND1 3.35Å
131	R	94.3	Very high	90.9	Very high	174 Å²	174	68.8 Å²	68.8	66%	0.657	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.2	49.6	179.8	-59.4	-167.5	175.9	112.4	0.8	113.3	Y127 C128 T129	Y127-R131 WeakPolarHBondContact O-CA 3.34Å; Y127-R131 PolarHBondContact O-N 3.23Å; Y127-R131 VanDerWaalsContact O-N 3.15Å; C128-R131 PolarHBondContact O-N 2.73Å; T129-R131 VanDerWaalsContact C-N 3.32Å
132	R	92.4	Very high	90.1	Very high	107 Å²	107	76 Å²	76	40%	0.404	39%	0.386	S	S	.	.	B	Isolated β-bridge	trans	-108.3	154.2	178.1	-65.8	-152	-174.2	164.9	-13.4	110.9	Y127 C130 D136 D139	Y127-R132 PolarHBondContact N-O 3.41Å; Y127-R132 PolarHBondContact O-N 2.67Å; C130-R132 VanDerWaalsContact C-N 3.34Å; C130-R132 HydrophobicContact CB-CG 4.21Å; C130-R132 PolarHBondContact O-N 2.96Å; R132-D136 WeakPolarHBondContact CD-OD2 2.99Å; R132-D136 IonicContact NE-OD2 3.32Å; R132-D136 IonicContact NH1-OD2 3.24Å; R132-D139 IonicContact NH1-OD2 3.3Å; R132-D139 PolarHBondContact NH1-OD2 2.97Å; R132-D139 VanDerWaalsContact NH1-OD2 3.1Å
133	P	91.4	Very high	89.4	Confident	54 Å²	54	77.6 Å²	77.6	35%	0.351	40%	0.395	S	S	.	.			trans	-66.4	165.6	172.8	30.1	-34.5	0	0	0	112	G125 D136	G125-P133 VanDerWaalsContact O-CA 3.24Å; G125-P133 WeakPolarHBondContact O-CA 3.44Å; P133-D136 WeakPolarHBondContact O-CB 3.45Å
134	Y	83.1	Confident	88.7	Confident	124 Å²	124	84.5 Å²	84.5	49%	0.486	43%	0.428	S	S	.	.	S	Bend	trans	-140.1	127.4	171.4	-172.6	-91.9	0	0	0	109.9	M145	Y134-M145 HydrophobicContact CD1-SD 4.18Å; Y134-M145 HydrophobicContact CD2-CG 3.98Å; Y134-M145 HydrophobicContact CD2-SD 3.42Å; Y134-M145 WeakPolarHBondContact CD2-SD 3.47Å; Y134-M145 HydrophobicContact CE2-CG 3.83Å; Y134-M145 HydrophobicContact CE2-SD 3.91Å; Y134-M145 HydrophobicContact CG-SD 3.57Å; Y134-M145 VanDerWaalsContact CG-SD 3.57Å
135	P	83.2	Confident	88.3	Confident	109 Å²	109	83.8 Å²	83.8	71%	0.708	43%	0.425	S	S	*	.	S	Bend	cis	-63.9	141.5	-8	27.8	-34.1	0	0	0	111.6	P137	P135-P137 WeakPolarHBondContact O-CD 3.49Å
136	D	86	Confident	88.2	Confident	21 Å²	21	85.1 Å²	85.1	11%	0.112	43%	0.431	C	S	.	.			trans	-89.2	111.7	-179.9	-172.7	-7.6	0	0	0	110.2	R132 P133 D138 D139	R132-D136 WeakPolarHBondContact CD-OD2 2.99Å; R132-D136 IonicContact NE-OD2 3.32Å; R132-D136 IonicContact NH1-OD2 3.24Å; P133-D136 WeakPolarHBondContact O-CB 3.45Å; D136-D138 PolarHBondContact O-N 3.39Å; D136-D138 PolarHBondContact OD1-N 2.99Å; D136-D139 HydrophobicContact CB-CB 3.67Å; D136-D139 PolarHBondContact O-N 2.91Å; D136-D139 VanDerWaalsContact O-N 3.15Å
137	P	86.8	Confident	88.1	Confident	113 Å²	113	84.7 Å²	84.7	73%	0.734	43%	0.428	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.4	-21	-179.7	28.5	-35.8	0	0	0	113.2	P135	P135-P137 WeakPolarHBondContact O-CD 3.49Å
138	D	88.4	Confident	88.2	Confident	144 Å²	144	84 Å²	84	77%	0.77	43%	0.425	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.8	-4.9	179.8	-66.6	-38.4	0	0	0	112.5	D136	D136-D138 PolarHBondContact O-N 3.39Å; D136-D138 PolarHBondContact OD1-N 2.99Å
139	D	85.3	Confident	88.2	Confident	34 Å²	34	84.2 Å²	84.2	18%	0.182	43%	0.427	C	S	.	.			trans	-107.5	113.5	177.9	-151.5	-29.9	0	0	0	111.2	R132 D136 V141 R158	R132-D139 IonicContact NH1-OD2 3.3Å; R132-D139 PolarHBondContact NH1-OD2 2.97Å; R132-D139 VanDerWaalsContact NH1-OD2 3.1Å; D136-D139 HydrophobicContact CB-CB 3.67Å; D136-D139 PolarHBondContact O-N 2.91Å; D136-D139 VanDerWaalsContact O-N 3.15Å; D139-V141 VanDerWaalsContact C-N 3.29Å; D139-V141 WeakPolarHBondContact OD1-CB 3.49Å; D139-V141 PolarHBondContact OD1-N 3.39Å; D139-R158 IonicContact OD1-NH2 2.71Å; D139-R158 PolarHBondContact OD1-NH2 3.39Å; D139-R158 IonicContact OD2-CZ 3.92Å; D139-R158 IonicContact OD2-NH2 3.25Å; D139-R158 PolarHBondContact OD2-NH2 3.4Å
140	Q	82.8	Confident	88.4	Confident	192 Å²	192	80.4 Å²	80.4	90%	0.897	40%	0.403	S	S	*	.			trans	-88.1	-1.4	178.6	-62.8	177.6	30.3	0	0	112.4
141	V	83.9	Confident	88.5	Confident	86 Å²	86	81 Å²	81	52%	0.521	41%	0.407	S	S	.	.			trans	-93.9	102.8	179.9	-172.5	0	0	0	0	108.8	D139 D143 R158	D139-V141 VanDerWaalsContact C-N 3.29Å; D139-V141 WeakPolarHBondContact OD1-CB 3.49Å; D139-V141 PolarHBondContact OD1-N 3.39Å; V141-D143 PolarHBondContact O-N 3.2Å; V141-R158 VanDerWaalsContact CG1-NH1 3.26Å; V141-R158 PolarHBondContact O-NH1 2.84Å
142	E	78.6	Confident	88.5	Confident	195 Å²	195	73.7 Å²	73.7	91%	0.911	38%	0.381	S	S	*	.			trans	-53.1	129.7	165.6	-70	177.5	-175.1	0	0	109.3
143	D	80.2	Confident	88.7	Confident	35 Å²	35	69.4 Å²	69.4	19%	0.187	37%	0.366	C	S	.	.			trans	-142.5	143.8	-179.4	-148.2	-30.5	0	0	0	109.7	V141 H156 G157 R158	V141-D143 PolarHBondContact O-N 3.2Å; D143-H156 WeakPolarHBondContact OD2-CB 3.31Å; D143-G157 PolarHBondContact OD1-N 3.45Å; D143-R158 VanDerWaalsContact CG-NH1 3.29Å; D143-R158 WeakPolarHBondContact OD2-CD 3.38Å; D143-R158 VanDerWaalsContact OD2-CG 3.22Å; D143-R158 WeakPolarHBondContact OD2-CG 3.44Å; D143-R158 IonicContact OD2-CZ 3.17Å; D143-R158 VanDerWaalsContact OD2-CZ 3.24Å; D143-R158 PolarHBondContact OD2-N 3.23Å; D143-R158 IonicContact OD2-NE 2.74Å; D143-R158 IonicContact OD2-NH1 2.69Å; D143-R158 PolarHBondContact OD2-NH1 3.12Å
144	E	82.1	Confident	88.9	Confident	148 Å²	148	68.9 Å²	68.9	69%	0.692	36%	0.357	S	S	*	.			trans	-81.5	125.1	169.4	-67.2	176.8	-175.7	0	0	108.5	G157	E144-G157 PolarHBondContact O-N 3.49Å; E144-G157 VanDerWaalsContact O-N 3.17Å
145	M	89.1	Confident	89.4	Confident	30 Å²	30	63.3 Å²	63.3	15%	0.148	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	133	173.1	-60	-150.9	80.8	0	0	110	Y127 C128 Y134 W154 L155	Y127-M145 HydrophobicContact CG-CE 4.42Å; C128-M145 HydrophobicContact CB-CE 4.37Å; Y134-M145 HydrophobicContact CD1-SD 4.18Å; Y134-M145 HydrophobicContact CD2-CG 3.98Å; Y134-M145 HydrophobicContact CD2-SD 3.42Å; Y134-M145 WeakPolarHBondContact CD2-SD 3.47Å; Y134-M145 HydrophobicContact CE2-CG 3.83Å; Y134-M145 HydrophobicContact CE2-SD 3.91Å; Y134-M145 HydrophobicContact CG-SD 3.57Å; Y134-M145 VanDerWaalsContact CG-SD 3.57Å; M145-W154 HydrophobicContact CB-CB 4.5Å; M145-W154 HydrophobicContact CB-CE3 3.82Å; M145-W154 HydrophobicContact CB-CZ3 4.5Å; M145-W154 HydrophobicContact CE-CB 3.91Å; M145-W154 WeakPolarHBondContact O-CZ3 3.32Å; M145-W154 HydrophobicContact SD-CB 4.38Å; M145-L155 WeakPolarHBondContact CA-O 3Å
146	I	91.3	Very high	89.9	Confident	33 Å²	33	58.4 Å²	58.4	17%	0.169	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	126.9	-178.7	-52.8	179.3	0	0	0	108.8	L155 L160 V164 M173 F299	I146-L155 PolarHBondContact N-O 2.94Å; I146-L155 PolarHBondContact O-N 2.83Å; I146-L160 HydrophobicContact CD1-CD1 4.05Å; I146-V164 HydrophobicContact CD1-CG1 3.75Å; I146-V164 HydrophobicContact CD1-CG2 4Å; I146-M173 HydrophobicContact CB-CE 3.89Å; I146-M173 HydrophobicContact CG2-CB 3.81Å; I146-M173 HydrophobicContact CG2-CE 3.62Å; I146-M173 HydrophobicContact CG2-CG 4.24Å; I146-M173 VanDerWaalsContact O-CE 3.25Å; I146-M173 WeakPolarHBondContact O-CE 3.2Å; I146-F299 HydrophobicContact CD1-CE1 3.9Å; I146-F299 HydrophobicContact CD1-CZ 3.92Å; I146-F299 HydrophobicContact CG2-CE1 4.38Å
147	Q	93.4	Very high	90.1	Very high	21 Å²	21	57.8 Å²	57.8	10%	0.098	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79	129.7	179.5	-167.8	-177.7	77.3	0	0	111.4	D153 W154	Q147-D153 CarbonylContact C-O 3.18Å; Q147-D153 WeakPolarHBondContact CA-O 3.24Å; Q147-W154 HydrophobicContact CB-CD2 3.88Å; Q147-W154 HydrophobicContact CB-CE3 3.91Å; Q147-W154 HydrophobicContact CB-CH2 4.06Å; Q147-W154 HydrophobicContact CB-CZ2 4.01Å; Q147-W154 HydrophobicContact CB-CZ3 4.01Å; Q147-W154 HydrophobicContact CG-CD2 4.34Å; Q147-W154 HydrophobicContact CG-CZ2 4.45Å
148	C	96.6	Very high	90.4	Very high	0 Å²	0	56.8 Å²	56.8	0%	0	28%	0.283	C	S	.	.	B	Isolated β-bridge	trans	-75	124.9	170	173.6	0	0	0	0	110.5	V150 C151 E152 D153 L155 M173 C175	C148-V150 PolarHBondContact O-N 2.67Å; C148-V150 VanDerWaalsContact O-N 3.12Å; C148-V150 PolarHBondContact SG-N 2.93Å; C148-C151 WeakPolarHBondContact CB-SG 3.08Å; C148-E152 WeakPolarHBondContact O-CA 3.06Å; C148-E152 PolarHBondContact O-N 3.46Å; C148-D153 PolarHBondContact N-O 3.4Å; C148-L155 HydrophobicContact CB-CD1 3.85Å; C148-M173 CarbonylContact C-O 3.58Å; C148-M173 WeakPolarHBondContact CA-O 3.24Å; C148-M173 HydrophobicContact CB-CE 4.19Å; C148-M173 HydrophobicContact CB-SD 4.32Å; C148-C175 HydrophobicContact CB-CB 4.02Å; C148-C175 PolarHBondContact SG-N 3.11Å; C148-C175 VanDerWaalsContact SG-SG 3.6Å
149	V	96	Very high	90.6	Very high	5 Å²	5	53.4 Å²	53.4	3%	0.03	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.2	-7.2	-177.1	-54.5	0	0	0	0	114.5	R88 E172 M173 I174 F325	R88-V149 VanDerWaalsContact CZ-O 3.24Å; R88-V149 PolarHBondContact NH1-O 2.93Å; R88-V149 PolarHBondContact NH2-O 3.29Å; V149-E172 HydrophobicContact CG1-CB 3.68Å; V149-E172 HydrophobicContact CG1-CG 3.72Å; V149-M173 PolarHBondContact N-O 3.36Å; V149-I174 HydrophobicContact CG2-CD1 4.23Å; V149-I174 HydrophobicContact CG2-CG1 3.58Å; V149-F325 WeakPolarHBondContact O-CE2 3.28Å
150	V	96.8	Very high	91	Very high	21 Å²	21	52 Å²	52	13%	0.127	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.8	-57.5	177.3	171	0	0	0	0	111.7	R88 C148 I174 C178 L323	R88-V150 PolarHBondContact NH2-O 2.92Å; C148-V150 PolarHBondContact O-N 2.67Å; C148-V150 VanDerWaalsContact O-N 3.12Å; C148-V150 PolarHBondContact SG-N 2.93Å; V150-I174 HydrophobicContact CB-CG2 4.41Å; V150-I174 HydrophobicContact CG2-CD1 3.99Å; V150-I174 HydrophobicContact CG2-CG1 4.08Å; V150-I174 HydrophobicContact CG2-CG2 3.86Å; V150-C178 HydrophobicContact CB-CB 3.84Å; V150-C178 HydrophobicContact CG1-CB 3.87Å; V150-C178 VanDerWaalsContact CG1-SG 3.57Å; V150-C178 HydrophobicContact CG2-CB 4.36Å; V150-L323 HydrophobicContact CB-CD2 4.4Å; V150-L323 HydrophobicContact CG1-CD2 3.64Å; V150-L323 HydrophobicContact CG2-CD2 4.02Å
151	C	96.1	Very high	91.4	Very high	55 Å²	55	45.5 Å²	45.5	37%	0.372	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.9	-10.3	-179.1	61.7	0	0	0	0	113.9	C148 D153	C148-C151 WeakPolarHBondContact CB-SG 3.08Å; C151-D153 PolarHBondContact O-N 3.15Å; C151-D153 VanDerWaalsContact O-N 3.12Å; C151-D153 VanDerWaalsContact SG-CB 3.58Å
152	E	95.8	Very high	91.6	Very high	21 Å²	21	43.6 Å²	43.6	10%	0.098	23%	0.23	C	C	.	.			trans	57.8	15.6	-173.3	-54.1	-171.6	133.8	0	0	113.9	R48 K87 R88 C148	R48-E152 IonicContact CZ-OE1 3.36Å; R48-E152 IonicContact NH1-OE1 3.03Å; R48-E152 IonicContact NH2-OE1 3.8Å; R48-E152 PolarHBondContact NH2-OE1 3.09Å; K87-E152 HydrophobicContact CD-CB 3.83Å; K87-E152 WeakPolarHBondContact CD-OE2 3.26Å; K87-E152 PolarHBondContact NZ-O 2.76Å; R88-E152 VanDerWaalsContact CG-OE1 3.28Å; R88-E152 WeakPolarHBondContact CG-OE1 3.46Å; R88-E152 IonicContact CZ-OE1 2.93Å; R88-E152 PolarHBondContact N-OE1 3.22Å; R88-E152 VanDerWaalsContact N-OE1 3.15Å; R88-E152 PolarHBondContact N-OE2 3.05Å; R88-E152 VanDerWaalsContact N-OE2 3.13Å; R88-E152 IonicContact NE-OE1 2.72Å; R88-E152 PolarHBondContact NE-OE1 3.21Å; R88-E152 IonicContact NH1-OE1 3.8Å; R88-E152 IonicContact NH2-OE1 3.55Å; R88-E152 PolarHBondContact NH2-OE1 2.99Å; C148-E152 WeakPolarHBondContact O-CA 3.06Å; C148-E152 PolarHBondContact O-N 3.46Å
153	D	96.1	Very high	92	Very high	17 Å²	17	38.6 Å²	38.6	9%	0.091	22%	0.222	C	C	.	.			trans	-78.5	150.8	172.4	-169.6	22	0	0	0	110.7	H121 N122 Q147 C148 C151 L155	H121-D153 IonicContact CE1-OD1 3.37Å; H121-D153 PolarHBondContact CE1-OD1 2.86Å; H121-D153 IonicContact CE1-OD2 3.57Å; H121-D153 PolarHBondContact CE1-OD2 3.36Å; H121-D153 VanDerWaalsContact CE1-OD2 3.25Å; H121-D153 IonicContact ND1-OD1 3.54Å; H121-D153 IonicContact NE2-OD1 2.66Å; H121-D153 IonicContact NE2-OD2 3.76Å; H121-D153 PolarHBondContact NE2-OD2 2.97Å; N122-D153 PolarHBondContact ND2-OD1 3.16Å; N122-D153 PolarHBondContact OD1-OD1 3.44Å; Q147-D153 CarbonylContact C-O 3.18Å; Q147-D153 WeakPolarHBondContact CA-O 3.24Å; C148-D153 PolarHBondContact N-O 3.4Å; C151-D153 PolarHBondContact O-N 3.15Å; C151-D153 VanDerWaalsContact O-N 3.12Å; C151-D153 VanDerWaalsContact SG-CB 3.58Å; D153-L155 WeakPolarHBondContact O-CD1 3.4Å
154	W	94.5	Very high	92.2	Very high	42 Å²	42	39.3 Å²	39.3	16%	0.159	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	129.2	176.5	-69.9	92	0	0	0	109.8	Y85 Y127 C128 M145 Q147	Y85-W154 HydrophobicContact CD1-CZ2 4.16Å; Y85-W154 AromaticContact CD2-CE2 3.93Å; Y85-W154 HydrophobicContact CD2-CH2 4.24Å; Y85-W154 AromaticContact CD2-CZ2 3.43Å; Y85-W154 HydrophobicContact CD2-CZ2 3.43Å; Y85-W154 VanDerWaalsContact CD2-CZ2 3.43Å; Y85-W154 HydrophobicContact CE2-CH2 4.36Å; Y85-W154 AromaticContact CE2-CZ2 3.94Å; Y85-W154 HydrophobicContact CE2-CZ2 3.94Å; Y85-W154 HydrophobicContact CG-CH2 4.31Å; Y85-W154 AromaticContact CG-CZ2 3.55Å; Y85-W154 HydrophobicContact CG-CZ2 3.55Å; Y127-W154 HydrophobicContact CD1-CB 3.98Å; Y127-W154 HydrophobicContact CD1-CG 4.41Å; C128-W154 WeakPolarHBondContact CA-O 3.35Å; C128-W154 PolarHBondContact N-O 2.71Å; M145-W154 HydrophobicContact CB-CB 4.5Å; M145-W154 HydrophobicContact CB-CE3 3.82Å; M145-W154 HydrophobicContact CB-CZ3 4.5Å; M145-W154 HydrophobicContact CE-CB 3.91Å; M145-W154 WeakPolarHBondContact O-CZ3 3.32Å; M145-W154 HydrophobicContact SD-CB 4.38Å; Q147-W154 HydrophobicContact CB-CD2 3.88Å; Q147-W154 HydrophobicContact CB-CE3 3.91Å; Q147-W154 HydrophobicContact CB-CH2 4.06Å; Q147-W154 HydrophobicContact CB-CZ2 4.01Å; Q147-W154 HydrophobicContact CB-CZ3 4.01Å; Q147-W154 HydrophobicContact CG-CD2 4.34Å; Q147-W154 HydrophobicContact CG-CZ2 4.45Å
155	L	95.2	Very high	92.2	Very high	8 Å²	8	34.7 Å²	34.7	4%	0.042	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	135.6	-177.9	-63.9	98.2	0	0	0	110.7	T129 M145 I146 C148 D153 L160 M173 C175	T129-L155 HydrophobicContact CG2-CD2 4.33Å; M145-L155 WeakPolarHBondContact CA-O 3Å; I146-L155 PolarHBondContact N-O 2.94Å; I146-L155 PolarHBondContact O-N 2.83Å; C148-L155 HydrophobicContact CB-CD1 3.85Å; D153-L155 WeakPolarHBondContact O-CD1 3.4Å; L155-L160 HydrophobicContact CB-CD2 3.63Å; L155-L160 HydrophobicContact CD2-CD2 4.17Å; L155-L160 HydrophobicContact CG-CD2 4.39Å; L155-M173 HydrophobicContact CD1-CE 4.04Å; L155-C175 HydrophobicContact CD1-CB 3.96Å; L155-C175 HydrophobicContact CD2-CB 3.92Å
156	H	93.1	Very high	91.3	Very high	5 Å²	5	41.4 Å²	41.4	2%	0.023	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.5	137.2	167.6	-65	117.2	0	0	0	110.8	C128 C130 D143 R158 H159	C128-H156 WeakPolarHBondContact CB-ND1 3.44Å; C128-H156 PolarHBondContact SG-N 2.89Å; C128-H156 VanDerWaalsContact SG-N 3.44Å; C130-H156 VanDerWaalsContact SG-CE1 3.55Å; C130-H156 PolarHBondContact SG-ND1 2.93Å; C130-H156 VanDerWaalsContact SG-ND1 3.35Å; D143-H156 WeakPolarHBondContact OD2-CB 3.31Å; H156-R158 HydrophobicContact CB-CG 4.21Å; H156-R158 PolarHBondContact O-N 2.85Å; H156-H159 HydrophobicContact CB-CB 4.31Å; H156-H159 AromaticContact CG-ND1 4Å; H156-H159 AromaticContact ND1-CE1 3.96Å; H156-H159 AromaticContact ND1-ND1 3.57Å; H156-H159 PolarHBondContact O-N 3.49Å
157	G	90.9	Very high	89.9	Confident	8 Å²	8	42.4 Å²	42.4	8%	0.082	26%	0.256	C	S	.	.	G	3₁₀ helix	trans	-53.3	-42.2	178.1	0	0	0	0	0	112.4	D143 E144 H159 L160	D143-G157 PolarHBondContact OD1-N 3.45Å; E144-G157 PolarHBondContact O-N 3.49Å; E144-G157 VanDerWaalsContact O-N 3.17Å; G157-H159 PolarHBondContact O-N 3.25Å; G157-L160 WeakPolarHBondContact O-CB 3.4Å; G157-L160 PolarHBondContact O-N 3.25Å
158	R	91.5	Very high	88.5	Confident	92 Å²	92	48.3 Å²	48.3	35%	0.347	29%	0.294	S	S	.	.	G	3₁₀ helix	trans	-64.8	-20	178.2	71	-173.8	161	-108.8	7.4	114.9	D139 V141 D143 H156	D139-R158 IonicContact OD1-NH2 2.71Å; D139-R158 PolarHBondContact OD1-NH2 3.39Å; D139-R158 IonicContact OD2-CZ 3.92Å; D139-R158 IonicContact OD2-NH2 3.25Å; D139-R158 PolarHBondContact OD2-NH2 3.4Å; V141-R158 VanDerWaalsContact CG1-NH1 3.26Å; V141-R158 PolarHBondContact O-NH1 2.84Å; D143-R158 VanDerWaalsContact CG-NH1 3.29Å; D143-R158 WeakPolarHBondContact OD2-CD 3.38Å; D143-R158 VanDerWaalsContact OD2-CG 3.22Å; D143-R158 WeakPolarHBondContact OD2-CG 3.44Å; D143-R158 IonicContact OD2-CZ 3.17Å; D143-R158 VanDerWaalsContact OD2-CZ 3.24Å; D143-R158 PolarHBondContact OD2-N 3.23Å; D143-R158 IonicContact OD2-NE 2.74Å; D143-R158 IonicContact OD2-NH1 2.69Å; D143-R158 PolarHBondContact OD2-NH1 3.12Å; H156-R158 HydrophobicContact CB-CG 4.21Å; H156-R158 PolarHBondContact O-N 2.85Å
159	H	93.3	Very high	86.9	Confident	74 Å²	74	54.7 Å²	54.7	34%	0.343	32%	0.323	S	S	.	.	G	3₁₀ helix	trans	-100	8.1	-179.5	-63.2	153.9	0	0	0	113.3	C128 H156 G157 G161	C128-H159 VanDerWaalsContact SG-CB 3.54Å; C128-H159 PolarHBondContact SG-ND1 2.95Å; H156-H159 HydrophobicContact CB-CB 4.31Å; H156-H159 AromaticContact CG-ND1 4Å; H156-H159 AromaticContact ND1-CE1 3.96Å; H156-H159 AromaticContact ND1-ND1 3.57Å; H156-H159 PolarHBondContact O-N 3.49Å; G157-H159 PolarHBondContact O-N 3.25Å; H159-G161 VanDerWaalsContact C-N 3.32Å
160	L	93.6	Very high	85.8	Confident	3 Å²	3	55.9 Å²	55.9	2%	0.016	33%	0.329	C	S	.	.	S	Bend	trans	-79.3	-12	178.2	-66.1	-178.7	0	0	0	113.9	I146 L155 G157 C162 V164 M173 G296 A297 F299	I146-L160 HydrophobicContact CD1-CD1 4.05Å; L155-L160 HydrophobicContact CB-CD2 3.63Å; L155-L160 HydrophobicContact CD2-CD2 4.17Å; L155-L160 HydrophobicContact CG-CD2 4.39Å; G157-L160 WeakPolarHBondContact O-CB 3.4Å; G157-L160 PolarHBondContact O-N 3.25Å; L160-C162 PolarHBondContact O-N 3.39Å; L160-V164 HydrophobicContact CD1-CG2 4.02Å; L160-M173 HydrophobicContact CD2-CE 3.81Å; L160-M173 HydrophobicContact CD2-SD 4.06Å; L160-G296 CarbonylContact O-C 3.47Å; L160-G296 VanDerWaalsContact O-CA 3.26Å; L160-G296 WeakPolarHBondContact O-CA 3.35Å; L160-A297 HydrophobicContact CB-CB 3.9Å; L160-A297 HydrophobicContact CD2-CB 3.94Å; L160-A297 HydrophobicContact CG-CB 4.34Å; L160-A297 PolarHBondContact O-N 3.32Å; L160-F299 HydrophobicContact CD1-CE2 4.07Å; L160-F299 HydrophobicContact CD1-CZ 3.62Å
161	G	90.9	Very high	84.9	Confident	57 Å²	57	59.7 Å²	59.7	59%	0.588	35%	0.345	S	S	*	.	S	Bend	trans	69.5	12.2	-177.5	0	0	0	0	0	114	H159	H159-G161 VanDerWaalsContact C-N 3.32Å
162	C	88.4	Confident	84.7	Confident	46 Å²	46	57.9 Å²	57.9	31%	0.311	33%	0.331	S	S	.	.	S	Bend	trans	-148	165	174.6	64.1	0	0	0	0	110.2	L160 A297	L160-C162 PolarHBondContact O-N 3.39Å; C162-A297 PolarHBondContact SG-O 3.01Å
163	A	86.6	Confident	84.7	Confident	90 Å²	90	57 Å²	57	74%	0.744	33%	0.327	S	S	*	.	P	Polyproline II helix	trans	-72.9	131	171.1	0	0	0	0	0	109.5	P165	A163-P165 WeakPolarHBondContact O-CD 3.24Å
164	V	85.4	Confident	84.7	Confident	50 Å²	50	56.2 Å²	56.2	30%	0.303	32%	0.323	S	S	.	.	P	Polyproline II helix	trans	-65.3	124.1	170.2	-177.8	0	0	0	0	107.7	I146 L160 F299	I146-V164 HydrophobicContact CD1-CG1 3.75Å; I146-V164 HydrophobicContact CD1-CG2 4Å; L160-V164 HydrophobicContact CD1-CG2 4.02Å; V164-F299 HydrophobicContact CB-CZ 4.35Å; V164-F299 HydrophobicContact CG1-CE1 4.31Å; V164-F299 HydrophobicContact CG1-CZ 4.05Å; V164-F299 HydrophobicContact CG2-CZ 4.19Å
165	P	81.3	Confident	84.9	Confident	50 Å²	50	54.5 Å²	54.5	33%	0.325	32%	0.318	S	S	.	.	P	Polyproline II helix	trans	-69.5	131.1	178	-18.6	31.8	0	0	0	111.3	A163 C167 M170 F299	A163-P165 WeakPolarHBondContact O-CD 3.24Å; P165-C167 PolarHBondContact O-N 2.69Å; P165-M170 HydrophobicContact CB-CG 4.1Å; P165-M170 HydrophobicContact CG-CG 4.23Å; P165-F299 HydrophobicContact CG-CB 4.13Å; P165-F299 HydrophobicContact CG-CD1 4.42Å; P165-F299 HydrophobicContact CG-CD2 3.94Å; P165-F299 HydrophobicContact CG-CE2 4.46Å; P165-F299 HydrophobicContact CG-CG 3.92Å
166	D	70.9	Confident	84.9	Confident	172 Å²	172	57.6 Å²	57.6	92%	0.92	33%	0.332	S	S	*	.			trans	-69.6	1.9	174.3	-54.2	-36	0	0	0	113.7
167	C	62.7	Low	85.1	Confident	54 Å²	54	61.1 Å²	61.1	37%	0.365	36%	0.357	S	S	.	.			trans	-96.2	126.4	-170.4	69.2	0	0	0	0	113.6	P165 E169 M170	P165-C167 PolarHBondContact O-N 2.69Å; C167-E169 PolarHBondContact O-N 2.96Å; C167-M170 PolarHBondContact O-N 2.73Å; C167-M170 WeakPolarHBondContact SG-CG 3.39Å
168	V	62.2	Low	85.4	Confident	145 Å²	145	61.1 Å²	61.1	88%	0.879	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.7	-12.1	177.3	-166.6	0	0	0	0	113.6	M170	V168-M170 VanDerWaalsContact C-N 3.31Å; V168-M170 PolarHBondContact O-N 3.04Å
169	E	63.3	Low	85.7	Confident	133 Å²	133	56.8 Å²	56.8	62%	0.621	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.5	-15.8	179.7	-62.5	-173.8	167.8	0	0	114	C167 P301 S302	C167-E169 PolarHBondContact O-N 2.96Å; E169-P301 WeakPolarHBondContact O-CA 3.2Å; E169-S302 PolarHBondContact O-N 3.35Å
170	M	72.6	Confident	85.8	Confident	30 Å²	30	56.4 Å²	56.4	15%	0.148	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	109.9	-179.8	-54.7	-50.6	-70.8	0	0	109.8	P165 C167 V168 R196 F299 W300 P301	P165-M170 HydrophobicContact CB-CG 4.1Å; P165-M170 HydrophobicContact CG-CG 4.23Å; C167-M170 PolarHBondContact O-N 2.73Å; C167-M170 WeakPolarHBondContact SG-CG 3.39Å; V168-M170 VanDerWaalsContact C-N 3.31Å; V168-M170 PolarHBondContact O-N 3.04Å; M170-R196 VanDerWaalsContact CE-NH2 3.26Å; M170-R196 VanDerWaalsContact SD-CZ 3.58Å; M170-R196 PolarHBondContact SD-NH1 3.48Å; M170-R196 PolarHBondContact SD-NH2 3.18Å; M170-F299 HydrophobicContact CB-CB 4.27Å; M170-F299 HydrophobicContact CE-CB 3.26Å; M170-F299 WeakPolarHBondContact CE-O 3.11Å; M170-F299 HydrophobicContact CG-CB 4.31Å; M170-W300 VanDerWaalsContact CE-C 3.48Å; M170-W300 VanDerWaalsContact CE-N 3.31Å; M170-P301 HydrophobicContact SD-CB 4.45Å
171	Q	78.2	Confident	86	Confident	102 Å²	102	63 Å²	63	48%	0.477	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	-24	-173.4	-71.4	-175.6	-13.8	0	0	113.3	W300 S302	Q171-W300 PolarHBondContact N-O 3.4Å; Q171-S302 VanDerWaalsContact NE2-CB 3.25Å
172	E	92.1	Very high	86.2	Confident	17 Å²	17	61.5 Å²	61.5	8%	0.079	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146	152.8	-171	-70.6	-171.8	139.8	0	0	112.4	V149 F299 W300 W304 R305	V149-E172 HydrophobicContact CG1-CB 3.68Å; V149-E172 HydrophobicContact CG1-CG 3.72Å; E172-F299 CarbonylContact O-C 3.55Å; E172-F299 WeakPolarHBondContact O-CA 3.28Å; E172-W300 HydrophobicContact CB-CB 4.49Å; E172-W300 PolarHBondContact N-O 2.82Å; E172-W300 PolarHBondContact O-N 3.35Å; E172-W304 PolarHBondContact OE2-NE1 3.22Å; E172-R305 IonicContact OE1-CZ 3.97Å; E172-R305 IonicContact OE1-NH1 3.22Å; E172-R305 PolarHBondContact OE1-NH1 2.9Å; E172-R305 IonicContact OE1-NH2 3.04Å; E172-R305 PolarHBondContact OE1-NH2 2.91Å; E172-R305 IonicContact OE2-CZ 3.18Å; E172-R305 IonicContact OE2-NH1 3.77Å; E172-R305 PolarHBondContact OE2-NH1 3.45Å; E172-R305 IonicContact OE2-NH2 3.97Å
173	M	95.1	Very high	86.5	Confident	2 Å²	2	63.5 Å²	63.5	1%	0.01	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	136.9	178.9	-179.2	-83.5	-68.9	0	0	110.2	I146 C148 V149 L155 L160 C175 A297 V298 F299	I146-M173 HydrophobicContact CB-CE 3.89Å; I146-M173 HydrophobicContact CG2-CB 3.81Å; I146-M173 HydrophobicContact CG2-CE 3.62Å; I146-M173 HydrophobicContact CG2-CG 4.24Å; I146-M173 VanDerWaalsContact O-CE 3.25Å; I146-M173 WeakPolarHBondContact O-CE 3.2Å; C148-M173 CarbonylContact C-O 3.58Å; C148-M173 WeakPolarHBondContact CA-O 3.24Å; C148-M173 HydrophobicContact CB-CE 4.19Å; C148-M173 HydrophobicContact CB-SD 4.32Å; V149-M173 PolarHBondContact N-O 3.36Å; L155-M173 HydrophobicContact CD1-CE 4.04Å; L160-M173 HydrophobicContact CD2-CE 3.81Å; L160-M173 HydrophobicContact CD2-SD 4.06Å; M173-C175 HydrophobicContact SD-CB 4.12Å; M173-C175 PolarHBondContact SD-N 2.91Å; M173-A297 HydrophobicContact CG-CB 4.08Å; M173-A297 HydrophobicContact SD-CB 3.91Å; M173-V298 WeakPolarHBondContact CA-O 3.46Å; M173-F299 HydrophobicContact CB-CD1 3.96Å; M173-F299 HydrophobicContact CB-CE1 3.95Å; M173-F299 HydrophobicContact CG-CD1 4.17Å; M173-F299 HydrophobicContact CG-CE1 3.93Å; M173-F299 HydrophobicContact CG-CE2 4.33Å; M173-F299 HydrophobicContact CG-CG 4.48Å; M173-F299 HydrophobicContact CG-CZ 4.02Å
174	I	97.7	Very high	86.9	Confident	0 Å²	0	60 Å²	60	0%	0	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	121.9	166.9	-58.3	178.5	0	0	0	107.5	V149 V150 C178 M179 L185 A297 V298 W300 W304	V149-I174 HydrophobicContact CG2-CD1 4.23Å; V149-I174 HydrophobicContact CG2-CG1 3.58Å; V150-I174 HydrophobicContact CB-CG2 4.41Å; V150-I174 HydrophobicContact CG2-CD1 3.99Å; V150-I174 HydrophobicContact CG2-CG1 4.08Å; V150-I174 HydrophobicContact CG2-CG2 3.86Å; I174-C178 HydrophobicContact CG2-CB 3.54Å; I174-M179 HydrophobicContact CB-CG 4.12Å; I174-M179 HydrophobicContact CB-SD 3.81Å; I174-M179 HydrophobicContact CD1-SD 4.31Å; I174-M179 HydrophobicContact CG2-CG 3.75Å; I174-M179 HydrophobicContact CG2-SD 3.66Å; I174-L185 HydrophobicContact CD1-CD1 3.94Å; I174-A297 WeakPolarHBondContact O-CA 3.36Å; I174-V298 PolarHBondContact N-O 3.16Å; I174-V298 PolarHBondContact O-N 3.36Å; I174-W300 HydrophobicContact CD1-CZ2 4.06Å; I174-W300 VanDerWaalsContact CD1-NE1 3.34Å; I174-W304 HydrophobicContact CD1-CH2 3.87Å; I174-W304 HydrophobicContact CD1-CZ2 4.31Å
175	C	97.5	Very high	87.4	Confident	7 Å²	7	57.6 Å²	57.6	5%	0.047	31%	0.312	C	S	.	.			trans	-66.9	158.8	-177.5	73.8	0	0	0	0	111.6	C148 L155 M173 S177 C178 M179	C148-C175 HydrophobicContact CB-CB 4.02Å; C148-C175 PolarHBondContact SG-N 3.11Å; C148-C175 VanDerWaalsContact SG-SG 3.6Å; L155-C175 HydrophobicContact CD1-CB 3.96Å; L155-C175 HydrophobicContact CD2-CB 3.92Å; M173-C175 HydrophobicContact SD-CB 4.12Å; M173-C175 PolarHBondContact SD-N 2.91Å; C175-S177 VanDerWaalsContact C-N 3.27Å; C175-S177 PolarHBondContact O-N 2.93Å; C175-C178 PolarHBondContact O-N 2.92Å; C175-C178 VanDerWaalsContact O-N 3.08Å; C175-M179 WeakPolarHBondContact O-CG 3.26Å; C175-M179 PolarHBondContact O-N 2.99Å
176	E	96.3	Very high	88.1	Confident	72 Å²	72	55.7 Å²	55.7	34%	0.336	30%	0.299	S	S	.	.	H	α-helix	trans	-53.4	-43.6	-179.7	-179.4	168.7	-154.7	0	0	112.6	C178 M179 N180 S295 G296	E176-C178 VanDerWaalsContact C-N 3.33Å; E176-C178 PolarHBondContact O-N 2.95Å; E176-M179 PolarHBondContact O-N 3.28Å; E176-N180 WeakPolarHBondContact CG-ND2 3.29Å; E176-N180 WeakPolarHBondContact O-CB 3.29Å; E176-N180 VanDerWaalsContact O-CG 3.3Å; E176-N180 PolarHBondContact O-N 3.4Å; E176-N180 PolarHBondContact O-ND2 3.45Å; E176-S295 WeakPolarHBondContact OE1-CA 3.35Å; E176-G296 PolarHBondContact OE1-N 3.48Å
177	S	96.5	Very high	89.2	Confident	80 Å²	80	48.4 Å²	48.4	56%	0.559	26%	0.262	S	S	*	.	H	α-helix	trans	-59	-43.7	179	-172.4	0	0	0	0	111.9	C175 N180 Q181	C175-S177 VanDerWaalsContact C-N 3.27Å; C175-S177 PolarHBondContact O-N 2.93Å; S177-N180 PolarHBondContact O-N 3.27Å; S177-Q181 WeakPolarHBondContact O-CB 3.28Å; S177-Q181 PolarHBondContact O-N 2.96Å
178	C	97.9	Very high	90.8	Very high	8 Å²	8	46.3 Å²	46.3	5%	0.054	25%	0.247	C	C	.	.	H	α-helix	trans	-71.7	-37.7	178.6	-70.8	0	0	0	0	112	V150 I174 C175 E176 N180 Q181 H182	V150-C178 HydrophobicContact CB-CB 3.84Å; V150-C178 HydrophobicContact CG1-CB 3.87Å; V150-C178 VanDerWaalsContact CG1-SG 3.57Å; V150-C178 HydrophobicContact CG2-CB 4.36Å; I174-C178 HydrophobicContact CG2-CB 3.54Å; C175-C178 PolarHBondContact O-N 2.92Å; C175-C178 VanDerWaalsContact O-N 3.08Å; E176-C178 VanDerWaalsContact C-N 3.33Å; E176-C178 PolarHBondContact O-N 2.95Å; C178-N180 VanDerWaalsContact C-N 3.33Å; C178-N180 PolarHBondContact O-N 2.81Å; C178-Q181 PolarHBondContact O-N 3.38Å; C178-H182 WeakPolarHBondContact O-CB 3.25Å; C178-H182 PolarHBondContact O-CD2 3.27Å; C178-H182 VanDerWaalsContact O-CD2 3.25Å; C178-H182 PolarHBondContact O-N 2.99Å
179	M	97.1	Very high	92.2	Very high	0 Å²	0	40 Å²	40	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-61.8	-41.9	173.8	-71.1	-60.8	-59	0	0	111.8	I174 C175 E176 H182 V183 L185 W186 A189 V298 W300	I174-M179 HydrophobicContact CB-CG 4.12Å; I174-M179 HydrophobicContact CB-SD 3.81Å; I174-M179 HydrophobicContact CD1-SD 4.31Å; I174-M179 HydrophobicContact CG2-CG 3.75Å; I174-M179 HydrophobicContact CG2-SD 3.66Å; C175-M179 WeakPolarHBondContact O-CG 3.26Å; C175-M179 PolarHBondContact O-N 2.99Å; E176-M179 PolarHBondContact O-N 3.28Å; M179-H182 CarbonylContact O-C 3.53Å; M179-H182 PolarHBondContact O-N 3.47Å; M179-V183 WeakPolarHBondContact O-CA 3.28Å; M179-V183 PolarHBondContact O-N 2.98Å; M179-L185 HydrophobicContact CE-CB 3.69Å; M179-L185 HydrophobicContact SD-CB 3.92Å; M179-L185 HydrophobicContact SD-CD1 4.23Å; M179-W186 HydrophobicContact CB-CD2 4.49Å; M179-W186 HydrophobicContact CB-CH2 4.19Å; M179-W186 HydrophobicContact CB-CZ2 3.48Å; M179-W186 VanDerWaalsContact CB-CZ2 3.48Å; M179-W186 HydrophobicContact CE-CD2 3.56Å; M179-W186 HydrophobicContact CE-CE3 3.74Å; M179-W186 HydrophobicContact CE-CG 3.96Å; M179-W186 HydrophobicContact CE-CH2 4.43Å; M179-W186 HydrophobicContact CE-CZ2 4.31Å; M179-W186 HydrophobicContact CE-CZ3 4.18Å; M179-W186 HydrophobicContact CG-CH2 4.47Å; M179-W186 HydrophobicContact CG-CZ2 4.22Å; M179-W186 PolarHBondContact O-NE1 3.26Å; M179-A189 HydrophobicContact CE-CB 4.39Å; M179-V298 HydrophobicContact CE-CB 4.23Å; M179-V298 HydrophobicContact CE-CG2 3.73Å; M179-V298 HydrophobicContact CG-CB 4.26Å; M179-V298 HydrophobicContact CG-CG2 3.99Å; M179-V298 HydrophobicContact SD-CB 4.06Å; M179-V298 HydrophobicContact SD-CG2 4.09Å; M179-W300 HydrophobicContact CE-CZ2 4.11Å; M179-W300 HydrophobicContact SD-CZ2 3.92Å
180	N	95.6	Very high	93.6	Very high	67 Å²	67	33.9 Å²	33.9	36%	0.358	18%	0.182	S	C	.	.	H	α-helix	trans	-75.3	-28.3	179.4	-70.6	-18.4	0	0	0	112.9	E176 S177 C178 V183 W186	E176-N180 WeakPolarHBondContact CG-ND2 3.29Å; E176-N180 WeakPolarHBondContact O-CB 3.29Å; E176-N180 VanDerWaalsContact O-CG 3.3Å; E176-N180 PolarHBondContact O-N 3.4Å; E176-N180 PolarHBondContact O-ND2 3.45Å; S177-N180 PolarHBondContact O-N 3.27Å; C178-N180 VanDerWaalsContact C-N 3.33Å; C178-N180 PolarHBondContact O-N 2.81Å; N180-V183 WeakPolarHBondContact O-CG1 3.4Å; N180-W186 PolarHBondContact OD1-NE1 3.36Å
181	Q	96.8	Very high	94.5	Very high	141 Å²	141	34.3 Å²	34.3	66%	0.659	18%	0.183	S	C	*	.	H	α-helix	trans	-73.1	-32.1	170.9	-172.8	150.1	15.8	0	0	112.2	S177 C178	S177-Q181 WeakPolarHBondContact O-CB 3.28Å; S177-Q181 PolarHBondContact O-N 2.96Å; C178-Q181 PolarHBondContact O-N 3.38Å
182	H	96.5	Very high	94.9	Very high	26 Å²	26	30 Å²	30	12%	0.12	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	-117.9	62.7	-177.9	-56.1	-63.8	0	0	0	111.1	C178 M179 F184 L185 L323	C178-H182 WeakPolarHBondContact O-CB 3.25Å; C178-H182 PolarHBondContact O-CD2 3.27Å; C178-H182 VanDerWaalsContact O-CD2 3.25Å; C178-H182 PolarHBondContact O-N 2.99Å; M179-H182 CarbonylContact O-C 3.53Å; M179-H182 PolarHBondContact O-N 3.47Å; H182-F184 HydrophobicContact CB-CD1 4.36Å; H182-F184 HydrophobicContact CB-CE1 3.82Å; H182-F184 HydrophobicContact CB-CZ 4.31Å; H182-F184 PolarHBondContact O-N 2.91Å; H182-L185 HydrophobicContact CB-CD1 3.84Å; H182-L185 HydrophobicContact CB-CG 4.22Å; H182-L185 WeakPolarHBondContact O-CB 3.35Å; H182-L185 WeakPolarHBondContact O-CG 3.4Å; H182-L185 PolarHBondContact O-N 3.25Å; H182-L323 HydrophobicContact CB-CD1 4.03Å
183	V	94.9	Very high	94.6	Very high	88 Å²	88	31.6 Å²	31.6	53%	0.533	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.7	-22.5	-169.1	-61.4	0	0	0	0	115.6	M179 N180 L185 W186	M179-V183 WeakPolarHBondContact O-CA 3.28Å; M179-V183 PolarHBondContact O-N 2.98Å; N180-V183 WeakPolarHBondContact O-CG1 3.4Å; V183-L185 PolarHBondContact O-N 2.74Å; V183-W186 WeakPolarHBondContact O-CB 3.4Å; V183-W186 PolarHBondContact O-N 2.71Å
184	F	94.4	Very high	93.3	Very high	15 Å²	15	33 Å²	33	7%	0.066	20%	0.195	C	C	.	.	H	α-helix	trans	-65	-23.3	176.3	68.6	-94	0	0	0	112.8	H182 W186 A187 Y188 L282 L318 L323	H182-F184 HydrophobicContact CB-CD1 4.36Å; H182-F184 HydrophobicContact CB-CE1 3.82Å; H182-F184 HydrophobicContact CB-CZ 4.31Å; H182-F184 PolarHBondContact O-N 2.91Å; F184-W186 VanDerWaalsContact C-N 3.26Å; F184-W186 PolarHBondContact O-N 3.29Å; F184-A187 WeakPolarHBondContact O-CB 3.43Å; F184-A187 PolarHBondContact O-N 3.38Å; F184-Y188 HydrophobicContact CD2-CE2 4.2Å; F184-L282 HydrophobicContact CB-CD1 4.21Å; F184-L282 HydrophobicContact CB-CD2 4.05Å; F184-L282 HydrophobicContact CD2-CD2 4.31Å; F184-L282 HydrophobicContact CG-CD2 4.45Å; F184-L318 HydrophobicContact CE2-CD2 3.92Å; F184-L318 HydrophobicContact CZ-CD2 3.81Å; F184-L323 HydrophobicContact CE1-CD1 4.47Å; F184-L323 HydrophobicContact CZ-CD1 3.93Å
185	L	96	Very high	91.7	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-64.7	-29.7	175.8	-66.8	175.9	0	0	0	112.1	I174 M179 H182 V183 A187 Y188 A189 W300 L323 L326	I174-L185 HydrophobicContact CD1-CD1 3.94Å; M179-L185 HydrophobicContact CE-CB 3.69Å; M179-L185 HydrophobicContact SD-CB 3.92Å; M179-L185 HydrophobicContact SD-CD1 4.23Å; H182-L185 HydrophobicContact CB-CD1 3.84Å; H182-L185 HydrophobicContact CB-CG 4.22Å; H182-L185 WeakPolarHBondContact O-CB 3.35Å; H182-L185 WeakPolarHBondContact O-CG 3.4Å; H182-L185 PolarHBondContact O-N 3.25Å; V183-L185 PolarHBondContact O-N 2.74Å; L185-A187 VanDerWaalsContact C-N 3.25Å; L185-A187 PolarHBondContact O-N 2.97Å; L185-Y188 WeakPolarHBondContact O-CB 3.24Å; L185-Y188 PolarHBondContact O-N 3.46Å; L185-Y188 VanDerWaalsContact O-N 3.08Å; L185-A189 PolarHBondContact O-N 2.91Å; L185-W300 HydrophobicContact CB-CZ2 4.42Å; L185-L323 HydrophobicContact CD1-CD1 4.46Å; L185-L326 HydrophobicContact CD2-CD1 4.47Å
186	W	95.6	Very high	89.9	Confident	11 Å²	11	42.9 Å²	42.9	4%	0.042	23%	0.234	C	C	.	.	H	α-helix	trans	-59.7	-34.9	176	-71.2	117	0	0	0	112.8	M179 N180 V183 F184 Y188 A189 A190 Q294 V298	M179-W186 HydrophobicContact CB-CD2 4.49Å; M179-W186 HydrophobicContact CB-CH2 4.19Å; M179-W186 HydrophobicContact CB-CZ2 3.48Å; M179-W186 VanDerWaalsContact CB-CZ2 3.48Å; M179-W186 HydrophobicContact CE-CD2 3.56Å; M179-W186 HydrophobicContact CE-CE3 3.74Å; M179-W186 HydrophobicContact CE-CG 3.96Å; M179-W186 HydrophobicContact CE-CH2 4.43Å; M179-W186 HydrophobicContact CE-CZ2 4.31Å; M179-W186 HydrophobicContact CE-CZ3 4.18Å; M179-W186 HydrophobicContact CG-CH2 4.47Å; M179-W186 HydrophobicContact CG-CZ2 4.22Å; M179-W186 PolarHBondContact O-NE1 3.26Å; N180-W186 PolarHBondContact OD1-NE1 3.36Å; V183-W186 WeakPolarHBondContact O-CB 3.4Å; V183-W186 PolarHBondContact O-N 2.71Å; F184-W186 VanDerWaalsContact C-N 3.26Å; F184-W186 PolarHBondContact O-N 3.29Å; W186-Y188 VanDerWaalsContact C-N 3.3Å; W186-Y188 PolarHBondContact O-N 3.27Å; W186-A189 HydrophobicContact CE3-CB 4.45Å; W186-A189 PolarHBondContact O-N 2.95Å; W186-A190 WeakPolarHBondContact O-CB 3.23Å; W186-A190 PolarHBondContact O-N 2.83Å; W186-Q294 HydrophobicContact CB-CG 4.31Å; W186-Q294 HydrophobicContact CD2-CB 4.03Å; W186-Q294 HydrophobicContact CD2-CG 3.84Å; W186-Q294 HydrophobicContact CE3-CG 4.33Å; W186-Q294 HydrophobicContact CG-CB 4.39Å; W186-Q294 HydrophobicContact CG-CG 3.82Å; W186-Q294 HydrophobicContact CZ2-CB 4.03Å; W186-V298 HydrophobicContact CE3-CG2 4.1Å; W186-V298 HydrophobicContact CH2-CG2 3.79Å; W186-V298 HydrophobicContact CZ3-CG2 3.41Å; W186-V298 VanDerWaalsContact CZ3-CG2 3.41Å
187	A	94.5	Very high	87.9	Confident	19 Å²	19	49.2 Å²	49.2	16%	0.157	26%	0.255	C	S	.	.	H	α-helix	trans	-63.6	-37.6	176.9	0	0	0	0	0	111.8	F184 L185 H191 L282 L285 Q286	F184-A187 WeakPolarHBondContact O-CB 3.43Å; F184-A187 PolarHBondContact O-N 3.38Å; L185-A187 VanDerWaalsContact C-N 3.25Å; L185-A187 PolarHBondContact O-N 2.97Å; A187-H191 PolarHBondContact O-N 3.37Å; A187-L282 HydrophobicContact CB-CD1 4.09Å; A187-L285 HydrophobicContact CB-CB 4.2Å; A187-Q286 HydrophobicContact CB-CG 4.06Å
188	Y	94.9	Very high	85.1	Confident	10 Å²	10	47.7 Å²	47.7	4%	0.039	25%	0.252	C	S	.	.	H	α-helix	trans	-70.3	-45.3	173.4	-66.4	-77.9	0	0	0	111.4	F184 L185 W186 A190 H191 L192 L282 L285 R307 L308 C309	F184-Y188 HydrophobicContact CD2-CE2 4.2Å; L185-Y188 WeakPolarHBondContact O-CB 3.24Å; L185-Y188 PolarHBondContact O-N 3.46Å; L185-Y188 VanDerWaalsContact O-N 3.08Å; W186-Y188 VanDerWaalsContact C-N 3.3Å; W186-Y188 PolarHBondContact O-N 3.27Å; Y188-A190 VanDerWaalsContact C-N 3.34Å; Y188-A190 PolarHBondContact O-N 3.29Å; Y188-H191 PolarHBondContact O-N 3.19Å; Y188-L192 VanDerWaalsContact O-CG 3.25Å; Y188-L192 WeakPolarHBondContact O-CG 3.42Å; Y188-L192 PolarHBondContact O-N 3.36Å; Y188-L282 HydrophobicContact CD2-CD1 4.27Å; Y188-L282 HydrophobicContact CE2-CD1 3.66Å; Y188-L282 HydrophobicContact CE2-CG 4.47Å; Y188-L285 HydrophobicContact CD1-CD1 3.57Å; Y188-L285 HydrophobicContact CE1-CD1 3.85Å; Y188-L285 HydrophobicContact CG-CD1 4.23Å; Y188-R307 WeakPolarHBondContact CE1-O 3.47Å; Y188-L308 HydrophobicContact CD1-CD2 4.09Å; Y188-L308 HydrophobicContact CD2-CD2 3.81Å; Y188-L308 HydrophobicContact CE1-CD2 4.04Å; Y188-L308 HydrophobicContact CE2-CD2 3.72Å; Y188-L308 HydrophobicContact CG-CD2 3.97Å; Y188-C309 WeakPolarHBondContact OH-CB 2.84Å; Y188-C309 PolarHBondContact OH-N 3.25Å
189	A	93.4	Very high	82.3	Confident	11 Å²	11	55.9 Å²	55.9	9%	0.091	29%	0.287	C	S	.	.	H	α-helix	trans	-56.7	-47.7	178.6	0	0	0	0	0	111.6	M179 L185 W186 H191 L192 A193 V298 W300	M179-A189 HydrophobicContact CE-CB 4.39Å; L185-A189 PolarHBondContact O-N 2.91Å; W186-A189 HydrophobicContact CE3-CB 4.45Å; W186-A189 PolarHBondContact O-N 2.95Å; A189-H191 VanDerWaalsContact C-N 3.35Å; A189-H191 PolarHBondContact O-N 3.14Å; A189-L192 PolarHBondContact O-N 3.08Å; A189-A193 WeakPolarHBondContact O-CB 3.45Å; A189-A193 PolarHBondContact O-N 3.4Å; A189-V298 HydrophobicContact CB-CG1 3.86Å; A189-V298 HydrophobicContact CB-CG2 4.36Å; A189-W300 HydrophobicContact CB-CH2 3.93Å; A189-W300 HydrophobicContact CB-CZ2 4.31Å; A189-W300 HydrophobicContact CB-CZ3 4.5Å
190	A	92.3	Very high	79.5	Confident	5 Å²	5	62.9 Å²	62.9	4%	0.041	32%	0.323	C	S	.	.	H	α-helix	trans	-56.6	-46.2	176.4	0	0	0	0	0	112.7	W186 Y188 L192 A193 G194 Q290 T292	W186-A190 WeakPolarHBondContact O-CB 3.23Å; W186-A190 PolarHBondContact O-N 2.83Å; Y188-A190 VanDerWaalsContact C-N 3.34Å; Y188-A190 PolarHBondContact O-N 3.29Å; A190-L192 PolarHBondContact O-N 3.44Å; A190-A193 PolarHBondContact O-N 3.3Å; A190-G194 PolarHBondContact O-N 3.06Å; A190-Q290 HydrophobicContact CB-CB 4Å; A190-T292 HydrophobicContact CB-CG2 3.42Å; A190-T292 VanDerWaalsContact CB-CG2 3.42Å
191	H	90.8	Very high	76.7	Confident	39 Å²	39	63.9 Å²	63.9	18%	0.181	34%	0.341	C	S	.	.	H	α-helix	trans	-63.5	-40.8	178.8	-176.7	73.3	0	0	0	113.3	A187 Y188 A189 K195 L285	A187-H191 PolarHBondContact O-N 3.37Å; Y188-H191 PolarHBondContact O-N 3.19Å; A189-H191 VanDerWaalsContact C-N 3.35Å; A189-H191 PolarHBondContact O-N 3.14Å; H191-K195 WeakPolarHBondContact NE2-CE 3.36Å; H191-K195 PolarHBondContact O-N 2.99Å; H191-L285 HydrophobicContact CB-CD1 4.11Å; H191-L285 HydrophobicContact CB-CD2 3.71Å; H191-L285 HydrophobicContact CB-CG 4.5Å; H191-L285 VanDerWaalsContact CG-CD2 3.41Å; H191-L285 VanDerWaalsContact ND1-CD2 3.31Å; H191-L285 WeakPolarHBondContact ND1-CD2 3.07Å
192	L	88	Confident	73.7	Confident	13 Å²	13	61.4 Å²	61.4	7%	0.068	35%	0.345	C	S	.	.	H	α-helix	trans	-71.9	-38.6	179.9	-62.9	174.9	0	0	0	111.9	Y188 A189 A190 K195 W300 W304	Y188-L192 VanDerWaalsContact O-CG 3.25Å; Y188-L192 WeakPolarHBondContact O-CG 3.42Å; Y188-L192 PolarHBondContact O-N 3.36Å; A189-L192 PolarHBondContact O-N 3.08Å; A190-L192 PolarHBondContact O-N 3.44Å; L192-K195 PolarHBondContact O-N 3.48Å; L192-W300 HydrophobicContact CD1-CE3 3.59Å; L192-W300 HydrophobicContact CD1-CZ3 3.56Å; L192-W304 HydrophobicContact CD1-CB 4.22Å
193	A	84.3	Confident	70.7	Confident	49 Å²	49	63 Å²	63	41%	0.405	37%	0.368	S	S	.	.	H	α-helix	trans	-65.2	-41.5	175.1	0	0	0	0	0	111.9	A189 A190 K195 R196 R197	A189-A193 WeakPolarHBondContact O-CB 3.45Å; A189-A193 PolarHBondContact O-N 3.4Å; A190-A193 PolarHBondContact O-N 3.3Å; A193-K195 VanDerWaalsContact C-N 3.29Å; A193-K195 PolarHBondContact O-N 3.13Å; A193-R196 PolarHBondContact O-N 3.16Å; A193-R196 VanDerWaalsContact O-N 3.16Å; A193-R197 PolarHBondContact O-N 3.47Å
194	G	69.3	Low	67.6	Low	32 Å²	32	62.3 Å²	62.3	33%	0.33	38%	0.379	S	S	.	.	H	α-helix	trans	-60.2	-34.6	178.3	0	0	0	0	0	113.7	A190 R197 G198	A190-G194 PolarHBondContact O-N 3.06Å; G194-R197 PolarHBondContact O-N 2.89Å; G194-G198 PolarHBondContact O-N 3.2Å
195	K	63.8	Low	64.8	Low	120 Å²	120	69 Å²	69	52%	0.522	42%	0.421	S	S	.	.	H	α-helix	trans	-68.9	-32	176.1	-76.2	-171	177.4	-175.4	0	113.6	H191 L192 A193 G198 F199	H191-K195 WeakPolarHBondContact NE2-CE 3.36Å; H191-K195 PolarHBondContact O-N 2.99Å; L192-K195 PolarHBondContact O-N 3.48Å; A193-K195 VanDerWaalsContact C-N 3.29Å; A193-K195 PolarHBondContact O-N 3.13Å; K195-G198 PolarHBondContact O-N 3.22Å; K195-F199 PolarHBondContact O-N 2.96Å
196	R	58.6	Low	61.5	Low	94 Å²	94	72.7 Å²	72.7	36%	0.355	46%	0.459	S	S	.	.	H	α-helix	trans	-68.6	-39.6	175.9	-66.2	-169.1	-153.1	-164.3	3.1	112.2	M170 A193 G198 F199 L200	M170-R196 VanDerWaalsContact CE-NH2 3.26Å; M170-R196 VanDerWaalsContact SD-CZ 3.58Å; M170-R196 PolarHBondContact SD-NH1 3.48Å; M170-R196 PolarHBondContact SD-NH2 3.18Å; A193-R196 PolarHBondContact O-N 3.16Å; A193-R196 VanDerWaalsContact O-N 3.16Å; R196-G198 PolarHBondContact O-N 3.27Å; R196-F199 PolarHBondContact O-N 3.08Å; R196-L200 PolarHBondContact O-N 3.32Å; R196-L200 VanDerWaalsContact O-N 3.14Å
197	R	53.7	Low	58.3	Low	206 Å²	206	83.5 Å²	83.5	78%	0.777	50%	0.5	S	S	*	.	H	α-helix	trans	-62.9	-33.3	174.4	-70.1	-173.3	-179.5	-171.4	1.3	112	A193 G194 A201	A193-R197 PolarHBondContact O-N 3.47Å; G194-R197 PolarHBondContact O-N 2.89Å; R197-A201 VanDerWaalsContact O-CB 3.31Å; R197-A201 WeakPolarHBondContact O-CB 3.01Å; R197-A201 PolarHBondContact O-N 2.81Å; R197-A201 VanDerWaalsContact O-N 3.13Å
198	G	39.6	Very low	55	Low	48 Å²	48	87.6 Å²	87.6	50%	0.495	53%	0.534	S	S	.	.	H	α-helix	trans	-68.7	-30.1	174.7	0	0	0	0	0	114.5	G194 K195 R196	G194-G198 PolarHBondContact O-N 3.2Å; K195-G198 PolarHBondContact O-N 3.22Å; R196-G198 PolarHBondContact O-N 3.27Å
199	F	38.2	Very low	51.7	Low	180 Å²	180	94.1 Å²	94.1	79%	0.789	57%	0.568	S	S	*	*	H	α-helix	trans	-79.2	-39.1	178	-138.3	-98.9	0	0	0	112.1	K195 R196 A202	K195-F199 PolarHBondContact O-N 2.96Å; R196-F199 PolarHBondContact O-N 3.08Å; F199-A202 PolarHBondContact O-N 3.47Å
200	L	39.3	Very low	48.4	Very low	146 Å²	146	98.1 Å²	98.1	76%	0.764	60%	0.595	S	S	*	*	H	α-helix	trans	-72.3	-26.2	176.3	-68.9	168.6	0	0	0	113.2	R196 A202	R196-L200 PolarHBondContact O-N 3.32Å; R196-L200 VanDerWaalsContact O-N 3.14Å; L200-A202 VanDerWaalsContact C-N 3.3Å; L200-A202 PolarHBondContact O-N 3.42Å
201	A	35.1	Very low	45.3	Very low	89 Å²	89	105.7 Å²	105.7	74%	0.736	63%	0.634	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.9	-12.5	176.4	0	0	0	0	0	113.9	R197	R197-A201 VanDerWaalsContact O-CB 3.31Å; R197-A201 WeakPolarHBondContact O-CB 3.01Å; R197-A201 PolarHBondContact O-N 2.81Å; R197-A201 VanDerWaalsContact O-N 3.13Å
202	A	35.1	Very low	42.3	Very low	89 Å²	89	111.9 Å²	111.9	74%	0.736	66%	0.663	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.5	-1.7	-176.3	0	0	0	0	0	114.5	F199 L200	F199-A202 PolarHBondContact O-N 3.47Å; L200-A202 VanDerWaalsContact C-N 3.3Å; L200-A202 PolarHBondContact O-N 3.42Å
203	G	32.2	Very low	39.3	Very low	59 Å²	59	114.3 Å²	114.3	61%	0.608	69%	0.691	S	S	*	*			trans	-120.8	99.3	-179.4	0	0	0	0	0	112.3
204	G	29.9	Very low	36.6	Very low	74 Å²	74	118.6 Å²	118.6	76%	0.763	72%	0.715	S	S	*	*			trans	-70.9	136.5	173.6	0	0	0	0	0	113.2
205	V	36.5	Very low	34.4	Very low	155 Å²	155	123.2 Å²	123.2	94%	0.939	74%	0.737	S	S	*	*			trans	51.6	100.1	156	-160.2	0	0	0	0	117.1
206	G	27.6	Very low	32.5	Very low	78 Å²	78	125.6 Å²	125.6	80%	0.804	75%	0.754	S	S	*	*			trans	-144.4	121.3	165.6	0	0	0	0	0	110.9
207	R	26.8	Very low	30.8	Very low	237 Å²	237	130 Å²	130	89%	0.894	78%	0.779	S	S	*	*			trans	-49.5	141.3	-174.8	-82.9	160	132.4	163.3	-7.9	114.2	I209	R207-I209 PolarHBondContact O-N 3.47Å
208	A	26.3	Very low	29.3	Very low	106 Å²	106	126.3 Å²	126.3	88%	0.876	78%	0.779	S	S	*	*			trans	-57.5	122.4	161.3	0	0	0	0	0	110.2
209	I	24.8	Very low	28.4	Very low	146 Å²	146	131.9 Å²	131.9	75%	0.749	79%	0.79	S	S	*	*			trans	-107.4	108.5	165.4	-57.9	173.1	0	0	0	105.3	R207	R207-I209 PolarHBondContact O-N 3.47Å
210	S	25.2	Very low	27.6	Very low	95 Å²	95	130.8 Å²	130.8	66%	0.664	79%	0.787	S	S	*	*			trans	-77.2	117.1	170.3	-173.3	0	0	0	0	107.5
211	L	27.1	Very low	26.8	Very low	164 Å²	164	132.6 Å²	132.6	86%	0.859	79%	0.792	S	S	*	*			trans	-94.3	90.7	167.9	-71.7	170.4	0	0	0	107.7
212	Q	27.4	Very low	26.2	Very low	170 Å²	170	138.6 Å²	138.6	79%	0.794	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-81.4	131.5	157.7	-77.5	166.4	0.5	0	0	107.4
213	G	25.4	Very low	25.4	Very low	64 Å²	64	137.7 Å²	137.7	66%	0.66	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-56.1	144.2	179.5	0	0	0	0	0	112.3	T215	G213-T215 PolarHBondContact O-N 3.1Å
214	P	27.2	Very low	25	Very low	138 Å²	138	144.3 Å²	144.3	90%	0.896	82%	0.816	S	S	*	*	P	Polyproline II helix	trans	-74.6	121.2	-175.4	27.3	-29.9	0	0	0	111.2
215	T	22.6	Very low	24.6	Very low	129 Å²	129	149.6 Å²	149.6	79%	0.791	82%	0.821	S	S	*	*	P	Polyproline II helix	trans	-74.3	133.7	163.5	-60.9	0	0	0	0	109.6	G213 Q217	G213-T215 PolarHBondContact O-N 3.1Å; T215-Q217 PolarHBondContact O-N 2.84Å
216	L	24.3	Very low	24	Very low	170 Å²	170	147.4 Å²	147.4	89%	0.89	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-59.9	121.2	171.4	-79.1	152.7	0	0	0	112
217	Q	23	Very low	23.7	Very low	188 Å²	188	152.2 Å²	152.2	88%	0.879	81%	0.814	S	S	*	*			trans	-143	132.2	149.6	-71.6	-165.2	-2.7	0	0	111.7	T215	T215-Q217 PolarHBondContact O-N 2.84Å
218	T	20.9	Very low	23.4	Very low	127 Å²	127	145.5 Å²	145.5	78%	0.779	81%	0.81	S	S	*	*			trans	-72	141.5	-179.8	50.1	0	0	0	0	113.8
219	K	21.7	Very low	23.3	Very low	165 Å²	165	144.2 Å²	144.2	72%	0.717	81%	0.807	S	S	*	*				154.6	134	113.6	-91.2	-170.9	165	-140.4	0	115.3
220	E	21.2	Very low	23.2	Very low	158 Å²	158	143.5 Å²	143.5	74%	0.738	81%	0.808	S	S	*	*			trans	84.6	140.7	135.1	-71.7	172.9	-163.2	0	0	122.4
221	E	22	Very low	23.2	Very low	184 Å²	184	145.1 Å²	145.1	86%	0.86	82%	0.817	S	S	*	*			trans	-82.1	159.9	-157.3	-55.5	168.1	123.9	0	0	115
222	K	22.2	Very low	22.9	Very low	214 Å²	214	145.2 Å²	145.2	93%	0.93	81%	0.81	S	S	*	*				-172.8	130.1	121.7	-101.7	171.8	-175.7	-175	0	110.6
223	G	20.1	Very low	22.7	Very low	71 Å²	71	146.9 Å²	146.9	73%	0.732	82%	0.815	S	S	*	*			trans	-93.8	178.1	-176.6	0	0	0	0	0	115.3
224	E	22.3	Very low	22.5	Very low	198 Å²	198	152.1 Å²	152.1	93%	0.925	82%	0.822	S	S	*	*			trans	-176.9	160.9	134	-104	174.7	149.4	0	0	111
225	Q	21.9	Very low	22.2	Very low	184 Å²	184	154.2 Å²	154.2	86%	0.86	82%	0.82	S	S	*	*			trans	-89.3	159.3	-156.6	-59.9	160.3	-4.4	0	0	114.3
226	S	22.9	Very low	22.2	Very low	109 Å²	109	157.9 Å²	157.9	76%	0.762	83%	0.825	S	S	*	*				161.4	128.2	113.9	67.1	0	0	0	0	115.6
227	E	21.7	Very low	22	Very low	179 Å²	179	152.9 Å²	152.9	84%	0.836	81%	0.814	S	S	*	*			trans	60.9	109.7	130.7	-66	-82.7	129.4	0	0	123.5
228	A	21.3	Very low	22.5	Very low	97 Å²	97	149.5 Å²	149.5	80%	0.802	81%	0.809	S	S	*	*				46.8	132.3	123.5	0	0	0	0	0	124
229	G	22.9	Very low	22.6	Very low	79 Å²	79	148.9 Å²	148.9	81%	0.814	81%	0.805	S	S	*	*			trans	169.6	94.1	154	0	0	0	0	0	115.9
230	V	23.6	Very low	22.7	Very low	130 Å²	130	148.2 Å²	148.2	79%	0.788	81%	0.809	S	S	*	*			trans	-89	150.6	168	175.8	0	0	0	0	109.7	K232	V230-K232 HydrophobicContact CG1-CG 4.49Å
231	P	24.8	Very low	22.7	Very low	129 Å²	129	148.9 Å²	148.9	84%	0.838	81%	0.812	S	S	*	*				-140.4	148.4	116.8	28.3	-9.7	0	0	0	115.6
232	K	21.7	Very low	22.7	Very low	167 Å²	167	145.8 Å²	145.8	73%	0.726	81%	0.806	S	S	*	*			trans	-70.9	163.5	174.8	-63	174	170.5	-175.7	0	114.3	V230	V230-K232 HydrophobicContact CG1-CG 4.49Å
233	K	22.4	Very low	22.7	Very low	204 Å²	204	143.5 Å²	143.5	89%	0.887	80%	0.796	S	S	*	*			trans	-176	101	132.4	-98.1	170.8	-172.5	-173.5	0	108.1
234	E	21.8	Very low	22.9	Very low	174 Å²	174	147.7 Å²	147.7	81%	0.813	80%	0.796	S	S	*	*				65.6	124.1	81.2	-82.4	-170.7	-174.8	0	0	116.9
235	E	21.6	Very low	22.9	Very low	183 Å²	183	147.2 Å²	147.2	86%	0.855	79%	0.794	S	S	*	*			trans	-63.4	169.2	178.8	-55	-170.6	120.4	0	0	115.5
236	K	22.6	Very low	22.9	Very low	205 Å²	205	148.7 Å²	148.7	89%	0.891	80%	0.797	S	S	*	*				-171.7	125.8	126.9	-102.9	166.7	-170.2	-175.6	0	112.2
237	G	19.6	Very low	22.8	Very low	65 Å²	65	146.6 Å²	146.6	67%	0.67	79%	0.794	S	S	*	*			trans	-72.3	-161.2	147.4	0	0	0	0	0	110.7
238	P	32.9	Very low	22.9	Very low	118 Å²	118	146.6 Å²	146.6	77%	0.766	79%	0.794	S	S	*	*			cis	-149.9	175.7	17.5	44.9	-23.7	0	0	0	117.5
239	T	22.7	Very low	23	Very low	114 Å²	114	150.2 Å²	150.2	70%	0.699	79%	0.794	S	S	*	*			trans	70.7	119.1	131.5	-65.4	0	0	0	0	125.9
240	L	23.7	Very low	23	Very low	150 Å²	150	151.7 Å²	151.7	79%	0.785	79%	0.791	S	S	*	*				40.2	141.2	128.8	-57.3	167.5	0	0	0	124.8
241	Q	23	Very low	22.9	Very low	173 Å²	173	154.4 Å²	154.4	81%	0.808	80%	0.795	S	S	*	*				164.8	112.9	112.1	-91.1	-174.6	16.7	0	0	111.3
242	T	20.9	Very low	22.8	Very low	119 Å²	119	152.8 Å²	152.8	73%	0.73	79%	0.793	S	S	*	*				91.2	147.3	84.8	40.6	0	0	0	0	118.6
243	K	22.8	Very low	22.9	Very low	165 Å²	165	148.5 Å²	148.5	72%	0.717	80%	0.797	S	S	*	*			trans	97	141.4	159.5	-67.4	-178.2	164.8	-108.2	0	117.5
244	E	22.9	Very low	23.1	Very low	159 Å²	159	145 Å²	145	74%	0.743	79%	0.792	S	S	*	*			cis	-169.6	167	-3	-112.9	164	178.1	0	0	108.5
245	E	22.2	Very low	23.3	Very low	188 Å²	188	142.7 Å²	142.7	88%	0.879	79%	0.792	S	S	*	*			trans	-85.8	167.2	-168	-61.9	174.4	110.4	0	0	118.7
246	K	22.8	Very low	23.3	Very low	215 Å²	215	142.8 Å²	142.8	94%	0.935	79%	0.789	S	S	*	*			trans	141.1	141.2	138.9	-84.6	-176	171.8	-175.6	0	110.5
247	G	21.4	Very low	23.3	Very low	66 Å²	66	141.1 Å²	141.1	68%	0.68	78%	0.782	S	S	*	*			cis	158.1	142.6	4.6	0	0	0	0	0	108.7
248	E	23.2	Very low	23.5	Very low	179 Å²	179	145.9 Å²	145.9	84%	0.836	79%	0.787	S	S	*	*			trans	63.5	118	155.4	-68.5	174.5	138.1	0	0	120
249	Q	22.7	Very low	23	Very low	173 Å²	173	148.8 Å²	148.8	81%	0.808	79%	0.791	S	S	*	*				95.5	140.1	69.7	-88.7	-168	19.3	0	0	115.2
250	S	24.6	Very low	23.1	Very low	109 Å²	109	153.5 Å²	153.5	76%	0.762	80%	0.801	S	S	*	*			trans	97.1	106	152	72.2	0	0	0	0	121.9
251	E	21.8	Very low	23	Very low	187 Å²	187	149.6 Å²	149.6	87%	0.874	80%	0.797	S	S	*	*				56.2	126.2	117.4	-68.6	-122.2	128.5	0	0	124.6
252	A	22.1	Very low	23.1	Very low	96 Å²	96	150.6 Å²	150.6	79%	0.793	80%	0.802	S	S	*	*				75.8	132.6	128.3	0	0	0	0	0	122
253	G	23.1	Very low	23.2	Very low	77 Å²	77	153 Å²	153	79%	0.794	81%	0.805	S	S	*	*			trans	161	86	158.2	0	0	0	0	0	116
254	V	26.5	Very low	23.4	Very low	131 Å²	131	152.1 Å²	152.1	79%	0.794	81%	0.807	S	S	*	*			trans	-76.9	151.6	162.4	175.7	0	0	0	0	109.5
255	P	25.7	Very low	23.6	Very low	125 Å²	125	151.1 Å²	151.1	81%	0.812	81%	0.811	S	S	*	*				-138.5	150	122.7	24.4	-4.9	0	0	0	115.2
256	K	22.7	Very low	24	Very low	184 Å²	184	150 Å²	150	80%	0.8	81%	0.806	S	S	*	*			trans	-69.6	156.3	174.2	-58.5	163	163.7	172.4	0	111.4
257	K	23.1	Very low	24.4	Very low	171 Å²	171	145.7 Å²	145.7	74%	0.743	80%	0.8	S	S	*	*				154.9	151.3	91.5	-109.9	165.8	165.5	-148.4	0	104.2
258	E	22.6	Very low	24.9	Very low	164 Å²	164	147 Å²	147	77%	0.766	80%	0.798	S	S	*	*				179	173	54.3	-130.4	156.8	-139.8	0	0	110.3
259	E	23.3	Very low	25.2	Very low	180 Å²	180	144 Å²	144	84%	0.841	80%	0.796	S	S	*	*			trans	-83	163.4	-158.1	-55.4	175.4	133.2	0	0	118.7
260	K	23.5	Very low	25.6	Very low	213 Å²	213	145.7 Å²	145.7	93%	0.926	80%	0.801	S	S	*	*			trans	155.5	136.8	132.9	-88.3	176.1	177.4	-176.1	0	108.4
261	G	22.8	Very low	26.1	Very low	68 Å²	68	152.7 Å²	152.7	70%	0.701	81%	0.81	S	S	*	*			cis	141	117.3	13.6	0	0	0	0	0	107.4
262	E	24.5	Very low	26.7	Very low	194 Å²	194	149.1 Å²	149.1	91%	0.907	81%	0.806	S	S	*	*			trans	59.4	147	160.9	-71.5	174.9	169.2	0	0	118.8
263	E	23.7	Very low	27.6	Very low	169 Å²	169	155.7 Å²	155.7	79%	0.79	81%	0.81	S	S	*	*			cis	-170.6	172.6	-11.8	-166.4	-174.9	-168.6	0	0	103.9
264	I	26.1	Very low	28.3	Very low	147 Å²	147	160.8 Å²	160.8	75%	0.754	81%	0.813	S	S	*	*			trans	116.1	97.1	157.9	-53.8	161.5	0	0	0	116.2
265	V	27.9	Very low	29.1	Very low	137 Å²	137	162.9 Å²	162.9	83%	0.83	81%	0.814	S	S	*	*			trans	45.1	119.5	131.9	-154.9	0	0	0	0	120.4
266	E	30	Very low	30	Very low	166 Å²	166	161.5 Å²	161.5	78%	0.776	81%	0.813	S	S	*	*			trans	-38.8	152.8	164.7	-97.1	-161.3	-168.1	0	0	117
267	P	31	Very low	31.4	Very low	124 Å²	124	160.5 Å²	160.5	81%	0.805	81%	0.812	S	S	*	*				-141.6	135.9	77.5	29.9	-8.6	0	0	0	117.5
268	S	31.7	Very low	33.2	Very low	92 Å²	92	157.5 Å²	157.5	64%	0.643	81%	0.81	S	S	*	*			trans	-0.7	121.3	143.1	-171.5	0	0	0	0	118.7
269	C	30.6	Very low	36.2	Very low	118 Å²	118	155 Å²	155	80%	0.797	81%	0.81	S	S	*	*				169	95.5	123.3	-89.2	0	0	0	0	110.6
270	K	29.4	Very low	39.6	Very low	208 Å²	208	147.4 Å²	147.4	90%	0.904	78%	0.777	S	S	*	*			trans	-137.9	117.2	153.9	-74.5	-169.8	-179.4	173.1	0	109.7	S272	K270-S272 PolarHBondContact O-N 3.24Å; K270-S272 VanDerWaalsContact O-N 3.17Å
271	R	35.8	Very low	43	Very low	256 Å²	256	141.1 Å²	141.1	97%	0.966	75%	0.747	S	S	*	*			trans	-46.8	110.9	178.8	-65.9	169.2	-174.3	170	0.6	110.8	R273	R271-R273 PolarHBondContact O-N 3.23Å
272	S	33.8	Very low	46.4	Very low	111 Å²	111	138.1 Å²	138.1	78%	0.776	72%	0.715	S	S	*	*			trans	-72.9	112.8	160.1	14.6	0	0	0	0	107.5	K270 Q274	K270-S272 PolarHBondContact O-N 3.24Å; K270-S272 VanDerWaalsContact O-N 3.17Å; S272-Q274 PolarHBondContact O-N 2.76Å
273	R	42.8	Very low	49.7	Very low	234 Å²	234	133.9 Å²	133.9	88%	0.883	69%	0.694	S	S	*	*			trans	-55.3	105.1	165.1	-175.4	177.3	-178.4	178.7	-1.8	106.9	R271 E275	R271-R273 PolarHBondContact O-N 3.23Å; R273-E275 PolarHBondContact O-N 2.86Å
274	Q	36.8	Very low	53	Low	185 Å²	185	128.2 Å²	128.2	86%	0.864	68%	0.676	S	S	*	*			trans	-63.4	106.8	166.9	-80.1	174.4	-31.8	0	0	106.6	S272 A276	S272-Q274 PolarHBondContact O-N 2.76Å; Q274-A276 PolarHBondContact O-N 3.24Å
275	E	42.7	Very low	56.2	Low	174 Å²	174	122 Å²	122	81%	0.813	64%	0.644	S	S	*	*			trans	-62.1	115.2	156.4	-66	-169.6	154.7	0	0	105.8	R273 E277	R273-E275 PolarHBondContact O-N 2.86Å; E275-E277 PolarHBondContact O-N 3.11Å; E275-E277 VanDerWaalsContact O-N 3.09Å
276	A	45.6	Very low	59.3	Low	96 Å²	96	120.3 Å²	120.3	79%	0.793	63%	0.627	S	S	*	*			trans	-62.3	114.8	176.9	0	0	0	0	0	107.6	Q274	Q274-A276 PolarHBondContact O-N 3.24Å
277	E	52.4	Low	62.2	Low	163 Å²	163	120 Å²	120	76%	0.762	63%	0.626	S	S	*	*			trans	-43.9	133.2	167.3	-78.5	-100.5	135.9	0	0	109.3	E275 S279	E275-E277 PolarHBondContact O-N 3.11Å; E275-E277 VanDerWaalsContact O-N 3.09Å; E277-S279 PolarHBondContact O-N 2.97Å
278	P	60.5	Low	64.8	Low	108 Å²	108	117.4 Å²	117.4	70%	0.701	61%	0.614	S	S	*	*			trans	-58	113	176.5	23.6	-31.4	0	0	0	108.3	C280	P278-C280 PolarHBondContact O-N 3.05Å
279	S	85.9	Confident	67	Low	112 Å²	112	115.4 Å²	115.4	78%	0.783	61%	0.608	S	S	*	*			trans	-52.1	127.2	-175.8	57.3	0	0	0	0	110.7	E277 R281	E277-S279 PolarHBondContact O-N 2.97Å; S279-R281 PolarHBondContact O-N 3.35Å
280	C	94.1	Very high	69.4	Low	21 Å²	21	114.3 Å²	114.3	14%	0.142	59%	0.591	C	S	.	*			trans	-66.2	117	-177.2	174.7	0	0	0	0	110.4	P278 L282 K283 A284 C314	P278-C280 PolarHBondContact O-N 3.05Å; C280-L282 VanDerWaalsContact C-N 3.34Å; C280-L282 PolarHBondContact O-N 3.22Å; C280-K283 HydrophobicContact CB-CB 4.07Å; C280-K283 HydrophobicContact CB-CD 4Å; C280-K283 HydrophobicContact CB-CG 4.01Å; C280-K283 PolarHBondContact O-N 2.74Å; C280-A284 PolarHBondContact O-N 3.2Å; C280-C314 PolarHBondContact SG-SG 3.02Å
281	R	94.4	Very high	71.4	Confident	81 Å²	81	114.3 Å²	114.3	31%	0.306	59%	0.591	S	S	.	*	H	α-helix	trans	-59.5	-41.6	179.6	179.8	-179.5	-177.6	167.3	2.1	112.3	S279 K283 A284 L285 R307 C309	S279-R281 PolarHBondContact O-N 3.35Å; R281-K283 PolarHBondContact O-N 3.3Å; R281-A284 PolarHBondContact O-N 3.17Å; R281-L285 HydrophobicContact CG-CD1 4.37Å; R281-L285 HydrophobicContact CG-CG 4.4Å; R281-L285 VanDerWaalsContact O-CG 3.32Å; R281-L285 WeakPolarHBondContact O-CG 3.07Å; R281-L285 PolarHBondContact O-N 3.3Å; R281-R307 WeakPolarHBondContact CD-O 3.43Å; R281-R307 PolarHBondContact NE-O 3.24Å; R281-R307 VanDerWaalsContact NH1-CA 3.28Å; R281-R307 PolarHBondContact NH1-O 2.87Å; R281-C309 HydrophobicContact CB-CB 3.95Å; R281-C309 PolarHBondContact N-SG 3.34Å; R281-C309 VanDerWaalsContact N-SG 3.4Å
282	L	93.9	Very high	73.1	Confident	4 Å²	4	104.5 Å²	104.5	2%	0.021	56%	0.56	C	S	.	*	H	α-helix	trans	-60.1	-46.3	178.9	177.2	54.7	0	0	0	111.5	F184 A187 Y188 C280 A284 L285 Q286 C309	F184-L282 HydrophobicContact CB-CD1 4.21Å; F184-L282 HydrophobicContact CB-CD2 4.05Å; F184-L282 HydrophobicContact CD2-CD2 4.31Å; F184-L282 HydrophobicContact CG-CD2 4.45Å; A187-L282 HydrophobicContact CB-CD1 4.09Å; Y188-L282 HydrophobicContact CD2-CD1 4.27Å; Y188-L282 HydrophobicContact CE2-CD1 3.66Å; Y188-L282 HydrophobicContact CE2-CG 4.47Å; C280-L282 VanDerWaalsContact C-N 3.34Å; C280-L282 PolarHBondContact O-N 3.22Å; L282-A284 VanDerWaalsContact C-N 3.35Å; L282-A284 PolarHBondContact O-N 2.99Å; L282-L285 PolarHBondContact O-N 3.25Å; L282-L285 VanDerWaalsContact O-N 3.17Å; L282-Q286 HydrophobicContact CD1-CG 4.13Å; L282-Q286 WeakPolarHBondContact O-CG 3.27Å; L282-Q286 PolarHBondContact O-N 3.37Å; L282-C309 HydrophobicContact CB-CB 4.41Å
283	K	94.3	Very high	75.2	Confident	105 Å²	105	106.1 Å²	106.1	46%	0.457	56%	0.56	S	S	.	*	H	α-helix	trans	-60.7	-45.7	177.5	-70.1	-176.8	-179.4	178	0	111	C280 R281 L285 Q286 E287	C280-K283 HydrophobicContact CB-CB 4.07Å; C280-K283 HydrophobicContact CB-CD 4Å; C280-K283 HydrophobicContact CB-CG 4.01Å; C280-K283 PolarHBondContact O-N 2.74Å; R281-K283 PolarHBondContact O-N 3.3Å; K283-L285 VanDerWaalsContact C-N 3.29Å; K283-L285 PolarHBondContact O-N 3.18Å; K283-Q286 PolarHBondContact O-N 2.72Å; K283-Q286 VanDerWaalsContact O-N 3.15Å; K283-E287 WeakPolarHBondContact O-CB 3.4Å; K283-E287 VanDerWaalsContact O-CG 3.3Å; K283-E287 WeakPolarHBondContact O-CG 3.29Å; K283-E287 PolarHBondContact O-N 2.78Å
284	A	93.9	Very high	77.3	Confident	50 Å²	50	100.4 Å²	100.4	41%	0.413	54%	0.543	S	S	.	.	H	α-helix	trans	-59.2	-37.8	175.8	0	0	0	0	0	112.8	C280 R281 L282 A288	C280-A284 PolarHBondContact O-N 3.2Å; R281-A284 PolarHBondContact O-N 3.17Å; L282-A284 VanDerWaalsContact C-N 3.35Å; L282-A284 PolarHBondContact O-N 2.99Å; A284-A288 WeakPolarHBondContact O-CB 3.47Å; A284-A288 PolarHBondContact O-N 3.47Å
285	L	93.1	Very high	80	Confident	18 Å²	18	94.9 Å²	94.9	9%	0.094	53%	0.525	C	S	.	.	H	α-helix	trans	-69.4	-39.6	175.8	-67.4	-177.6	0	0	0	112.6	A187 Y188 H191 R281 L282 K283 A288	A187-L285 HydrophobicContact CB-CB 4.2Å; Y188-L285 HydrophobicContact CD1-CD1 3.57Å; Y188-L285 HydrophobicContact CE1-CD1 3.85Å; Y188-L285 HydrophobicContact CG-CD1 4.23Å; H191-L285 HydrophobicContact CB-CD1 4.11Å; H191-L285 HydrophobicContact CB-CD2 3.71Å; H191-L285 HydrophobicContact CB-CG 4.5Å; H191-L285 VanDerWaalsContact CG-CD2 3.41Å; H191-L285 VanDerWaalsContact ND1-CD2 3.31Å; H191-L285 WeakPolarHBondContact ND1-CD2 3.07Å; R281-L285 HydrophobicContact CG-CD1 4.37Å; R281-L285 HydrophobicContact CG-CG 4.4Å; R281-L285 VanDerWaalsContact O-CG 3.32Å; R281-L285 WeakPolarHBondContact O-CG 3.07Å; R281-L285 PolarHBondContact O-N 3.3Å; L282-L285 PolarHBondContact O-N 3.25Å; L282-L285 VanDerWaalsContact O-N 3.17Å; K283-L285 VanDerWaalsContact C-N 3.29Å; K283-L285 PolarHBondContact O-N 3.18Å; L285-A288 PolarHBondContact O-N 3.12Å
286	Q	91.8	Very high	82.4	Confident	101 Å²	101	86.6 Å²	86.6	47%	0.472	49%	0.487	S	S	.	.	H	α-helix	trans	-65.7	-40.6	176.3	-71.1	171.2	-32	0	0	111.4	A187 L282 K283 G289	A187-Q286 HydrophobicContact CB-CG 4.06Å; L282-Q286 HydrophobicContact CD1-CG 4.13Å; L282-Q286 WeakPolarHBondContact O-CG 3.27Å; L282-Q286 PolarHBondContact O-N 3.37Å; K283-Q286 PolarHBondContact O-N 2.72Å; K283-Q286 VanDerWaalsContact O-N 3.15Å; Q286-G289 PolarHBondContact O-N 2.62Å
287	E	91.4	Very high	84.8	Confident	160 Å²	160	82.4 Å²	82.4	75%	0.748	45%	0.452	S	S	*	.	H	α-helix	trans	-68.7	-34.4	176.5	-71.9	167.9	-169	0	0	112.7	K283 G289	K283-E287 WeakPolarHBondContact O-CB 3.4Å; K283-E287 VanDerWaalsContact O-CG 3.3Å; K283-E287 WeakPolarHBondContact O-CG 3.29Å; K283-E287 PolarHBondContact O-N 2.78Å; E287-G289 PolarHBondContact O-N 3.03Å; E287-G289 VanDerWaalsContact O-N 3.15Å
288	A	86.5	Confident	86.9	Confident	68 Å²	68	75.6 Å²	75.6	56%	0.562	42%	0.422	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.4	-16.4	175.1	0	0	0	0	0	113.1	A284 L285 Q290	A284-A288 WeakPolarHBondContact O-CB 3.47Å; A284-A288 PolarHBondContact O-N 3.47Å; L285-A288 PolarHBondContact O-N 3.12Å; A288-Q290 VanDerWaalsContact C-N 3.26Å; A288-Q290 PolarHBondContact O-N 3.15Å; A288-Q290 VanDerWaalsContact O-N 3.14Å
289	G	77.6	Confident	88.4	Confident	50 Å²	50	72 Å²	72	52%	0.515	40%	0.395	S	S	.	.	T	Hydrogen-bonded Turn	trans	62.1	26.4	165.7	0	0	0	0	0	115.3	Q286 E287 K291	Q286-G289 PolarHBondContact O-N 2.62Å; E287-G289 PolarHBondContact O-N 3.03Å; E287-G289 VanDerWaalsContact O-N 3.15Å; G289-K291 PolarHBondContact O-N 3.32Å; G289-K291 VanDerWaalsContact O-N 3.14Å
290	Q	80.1	Confident	88.8	Confident	95 Å²	95	66.8 Å²	66.8	44%	0.444	36%	0.358	S	S	.	.			trans	-63.7	115.7	175.8	-78.1	-179.2	-31	0	0	109.8	A190 A288	A190-Q290 HydrophobicContact CB-CB 4Å; A288-Q290 VanDerWaalsContact C-N 3.26Å; A288-Q290 PolarHBondContact O-N 3.15Å; A288-Q290 VanDerWaalsContact O-N 3.14Å
291	K	71.3	Confident	88.6	Confident	208 Å²	208	66.5 Å²	66.5	90%	0.904	36%	0.356	S	S	*	.			trans	-82.9	124.9	178.8	-63.4	-174.2	179.3	-177.2	0	109.8	G289	G289-K291 PolarHBondContact O-N 3.32Å; G289-K291 VanDerWaalsContact O-N 3.14Å
292	T	71.9	Confident	88.2	Confident	51 Å²	51	65.5 Å²	65.5	31%	0.313	36%	0.362	S	S	.	.			trans	-121.6	148.6	162.3	53.2	0	0	0	0	108.6	A190 Q294	A190-T292 HydrophobicContact CB-CG2 3.42Å; A190-T292 VanDerWaalsContact CB-CG2 3.42Å; T292-Q294 PolarHBondContact O-N 3.04Å; T292-Q294 VanDerWaalsContact O-N 3.13Å
293	D	78.9	Confident	87.9	Confident	145 Å²	145	66.8 Å²	66.8	78%	0.775	38%	0.376	S	S	*	.			trans	-63.4	114.6	165.7	-64	-33.9	0	0	0	107.4	S295	D293-S295 PolarHBondContact O-N 3.36Å
294	Q	87.1	Confident	87.8	Confident	113 Å²	113	62 Å²	62	53%	0.528	36%	0.355	S	S	.	.			trans	-81.6	61.4	-178.8	-65.5	-177.4	-4.5	0	0	109.5	W186 T292	W186-Q294 HydrophobicContact CB-CG 4.31Å; W186-Q294 HydrophobicContact CD2-CB 4.03Å; W186-Q294 HydrophobicContact CD2-CG 3.84Å; W186-Q294 HydrophobicContact CE3-CG 4.33Å; W186-Q294 HydrophobicContact CG-CB 4.39Å; W186-Q294 HydrophobicContact CG-CG 3.82Å; W186-Q294 HydrophobicContact CZ2-CB 4.03Å; T292-Q294 PolarHBondContact O-N 3.04Å; T292-Q294 VanDerWaalsContact O-N 3.13Å
295	S	92.6	Very high	87.8	Confident	69 Å²	69	60.1 Å²	60.1	48%	0.483	34%	0.337	S	S	.	.			trans	-140.9	145.4	-175.9	59.8	0	0	0	0	110.9	E176 D293	E176-S295 WeakPolarHBondContact OE1-CA 3.35Å; D293-S295 PolarHBondContact O-N 3.36Å
296	G	94.3	Very high	87.8	Confident	1 Å²	1	63.1 Å²	63.1	1%	0.01	36%	0.36	C	S	.	.	S	Bend	trans	75.2	174.9	-179.3	0	0	0	0	0	114.3	L160 E176	L160-G296 CarbonylContact O-C 3.47Å; L160-G296 VanDerWaalsContact O-CA 3.26Å; L160-G296 WeakPolarHBondContact O-CA 3.35Å; E176-G296 PolarHBondContact OE1-N 3.48Å
297	A	95.6	Very high	87.9	Confident	8 Å²	8	62.3 Å²	62.3	7%	0.066	35%	0.353	C	S	.	.			trans	-71.7	151.4	177	0	0	0	0	0	111.5	L160 C162 M173 I174	L160-A297 HydrophobicContact CB-CB 3.9Å; L160-A297 HydrophobicContact CD2-CB 3.94Å; L160-A297 HydrophobicContact CG-CB 4.34Å; L160-A297 PolarHBondContact O-N 3.32Å; C162-A297 PolarHBondContact SG-O 3.01Å; M173-A297 HydrophobicContact CG-CB 4.08Å; M173-A297 HydrophobicContact SD-CB 3.91Å; I174-A297 WeakPolarHBondContact O-CA 3.36Å
298	V	95.3	Very high	88	Confident	20 Å²	20	55.2 Å²	55.2	12%	0.121	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	122.4	175.7	178.6	0	0	0	0	109.4	M173 I174 M179 W186 A189 W300	M173-V298 WeakPolarHBondContact CA-O 3.46Å; I174-V298 PolarHBondContact N-O 3.16Å; I174-V298 PolarHBondContact O-N 3.36Å; M179-V298 HydrophobicContact CE-CB 4.23Å; M179-V298 HydrophobicContact CE-CG2 3.73Å; M179-V298 HydrophobicContact CG-CB 4.26Å; M179-V298 HydrophobicContact CG-CG2 3.99Å; M179-V298 HydrophobicContact SD-CB 4.06Å; M179-V298 HydrophobicContact SD-CG2 4.09Å; W186-V298 HydrophobicContact CE3-CG2 4.1Å; W186-V298 HydrophobicContact CH2-CG2 3.79Å; W186-V298 HydrophobicContact CZ3-CG2 3.41Å; W186-V298 VanDerWaalsContact CZ3-CG2 3.41Å; A189-V298 HydrophobicContact CB-CG1 3.86Å; A189-V298 HydrophobicContact CB-CG2 4.36Å; V298-W300 HydrophobicContact CB-CZ2 4.4Å; V298-W300 HydrophobicContact CG1-CD2 4.17Å; V298-W300 HydrophobicContact CG1-CZ2 3.81Å; V298-W300 VanDerWaalsContact O-CD1 3.23Å; V298-W300 PolarHBondContact O-NE1 2.89Å
299	F	93.8	Very high	88.5	Confident	33 Å²	33	52.6 Å²	52.6	15%	0.145	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	138.4	169.3	-68.2	-95.6	0	0	0	109.4	I146 L160 V164 P165 M170 E172 M173	I146-F299 HydrophobicContact CD1-CE1 3.9Å; I146-F299 HydrophobicContact CD1-CZ 3.92Å; I146-F299 HydrophobicContact CG2-CE1 4.38Å; L160-F299 HydrophobicContact CD1-CE2 4.07Å; L160-F299 HydrophobicContact CD1-CZ 3.62Å; V164-F299 HydrophobicContact CB-CZ 4.35Å; V164-F299 HydrophobicContact CG1-CE1 4.31Å; V164-F299 HydrophobicContact CG1-CZ 4.05Å; V164-F299 HydrophobicContact CG2-CZ 4.19Å; P165-F299 HydrophobicContact CG-CB 4.13Å; P165-F299 HydrophobicContact CG-CD1 4.42Å; P165-F299 HydrophobicContact CG-CD2 3.94Å; P165-F299 HydrophobicContact CG-CE2 4.46Å; P165-F299 HydrophobicContact CG-CG 3.92Å; M170-F299 HydrophobicContact CB-CB 4.27Å; M170-F299 HydrophobicContact CE-CB 3.26Å; M170-F299 WeakPolarHBondContact CE-O 3.11Å; M170-F299 HydrophobicContact CG-CB 4.31Å; E172-F299 CarbonylContact O-C 3.55Å; E172-F299 WeakPolarHBondContact O-CA 3.28Å; M173-F299 HydrophobicContact CB-CD1 3.96Å; M173-F299 HydrophobicContact CB-CE1 3.95Å; M173-F299 HydrophobicContact CG-CD1 4.17Å; M173-F299 HydrophobicContact CG-CE1 3.93Å; M173-F299 HydrophobicContact CG-CE2 4.33Å; M173-F299 HydrophobicContact CG-CG 4.48Å; M173-F299 HydrophobicContact CG-CZ 4.02Å
300	W	92.8	Very high	89.3	Confident	1 Å²	1	54 Å²	54	0%	0.004	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	134.2	-176.3	-59.4	85.4	0	0	0	111.5	M170 Q171 E172 I174 M179 L185 A189 L192 V298 W304	M170-W300 VanDerWaalsContact CE-C 3.48Å; M170-W300 VanDerWaalsContact CE-N 3.31Å; Q171-W300 PolarHBondContact N-O 3.4Å; E172-W300 HydrophobicContact CB-CB 4.49Å; E172-W300 PolarHBondContact N-O 2.82Å; E172-W300 PolarHBondContact O-N 3.35Å; I174-W300 HydrophobicContact CD1-CZ2 4.06Å; I174-W300 VanDerWaalsContact CD1-NE1 3.34Å; M179-W300 HydrophobicContact CE-CZ2 4.11Å; M179-W300 HydrophobicContact SD-CZ2 3.92Å; L185-W300 HydrophobicContact CB-CZ2 4.42Å; A189-W300 HydrophobicContact CB-CH2 3.93Å; A189-W300 HydrophobicContact CB-CZ2 4.31Å; A189-W300 HydrophobicContact CB-CZ3 4.5Å; L192-W300 HydrophobicContact CD1-CE3 3.59Å; L192-W300 HydrophobicContact CD1-CZ3 3.56Å; V298-W300 HydrophobicContact CB-CZ2 4.4Å; V298-W300 HydrophobicContact CG1-CD2 4.17Å; V298-W300 HydrophobicContact CG1-CZ2 3.81Å; V298-W300 VanDerWaalsContact O-CD1 3.23Å; V298-W300 PolarHBondContact O-NE1 2.89Å; W300-W304 HydrophobicContact CB-CB 4.21Å; W300-W304 HydrophobicContact CB-CD2 3.85Å; W300-W304 HydrophobicContact CB-CG 3.55Å; W300-W304 AromaticContact CD2-CD2 3.74Å; W300-W304 HydrophobicContact CD2-CD2 3.74Å; W300-W304 AromaticContact CD2-CE3 3.74Å; W300-W304 HydrophobicContact CD2-CE3 3.74Å; W300-W304 HydrophobicContact CD2-CG 4.19Å; W300-W304 HydrophobicContact CD2-CH2 4.42Å; W300-W304 HydrophobicContact CD2-CZ2 4.46Å; W300-W304 HydrophobicContact CD2-CZ3 4.07Å; W300-W304 HydrophobicContact CE3-CB 4.04Å; W300-W304 AromaticContact CE3-CD2 3.55Å; W300-W304 HydrophobicContact CE3-CD2 3.55Å; W300-W304 AromaticContact CE3-CE3 3.3Å; W300-W304 HydrophobicContact CE3-CE3 3.3Å; W300-W304 AromaticContact CE3-CG 3.89Å; W300-W304 HydrophobicContact CE3-CG 3.89Å; W300-W304 AromaticContact CE3-CZ3 3.92Å; W300-W304 HydrophobicContact CE3-CZ3 3.92Å; W300-W304 AromaticContact CG-CD2 3.88Å; W300-W304 HydrophobicContact CG-CD2 3.88Å; W300-W304 AromaticContact CG-CE2 3.87Å; W300-W304 HydrophobicContact CG-CE3 4.35Å; W300-W304 HydrophobicContact CG-CG 4.09Å; W300-W304 HydrophobicContact CG-CZ2 4.33Å; W300-W304 HydrophobicContact CH2-CE3 4.33Å; W300-W304 HydrophobicContact CH2-CZ3 4.25Å; W300-W304 HydrophobicContact CZ2-CZ3 4.4Å; W300-W304 HydrophobicContact CZ3-CD2 4.34Å; W300-W304 AromaticContact CZ3-CE3 3.63Å; W300-W304 HydrophobicContact CZ3-CE3 3.63Å; W300-W304 HydrophobicContact CZ3-CZ3 4.01Å
301	P	89.8	Confident	90.1	Very high	16 Å²	16	50.6 Å²	50.6	10%	0.104	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	164.9	176.9	32	-34.8	0	0	0	111.3	E169 M170 W304	E169-P301 WeakPolarHBondContact O-CA 3.2Å; M170-P301 HydrophobicContact SD-CB 4.45Å; P301-W304 HydrophobicContact CG-CB 4.42Å; P301-W304 WeakPolarHBondContact O-CB 3.5Å; P301-W304 VanDerWaalsContact O-CD1 3.23Å; P301-W304 PolarHBondContact O-N 3.39Å
302	S	86.6	Confident	91.3	Very high	59 Å²	59	44.6 Å²	44.6	41%	0.413	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49.9	140.4	171.8	68.7	0	0	0	0	113.3	E169 Q171 W304	E169-S302 PolarHBondContact O-N 3.35Å; Q171-S302 VanDerWaalsContact NE2-CB 3.25Å; S302-W304 PolarHBondContact O-N 3Å
303	G	87.2	Confident	92.4	Very high	32 Å²	32	45.9 Å²	45.9	33%	0.33	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	64.9	17.8	178.7	0	0	0	0	0	115.1	R305 S306	G303-R305 VanDerWaalsContact C-N 3.27Å; G303-R305 PolarHBondContact O-N 2.71Å; G303-S306 PolarHBondContact O-N 3.03Å; G303-S306 PolarHBondContact O-OG 2.97Å
304	W	92.4	Very high	93.2	Very high	4 Å²	4	39.1 Å²	39.1	2%	0.015	24%	0.242	C	C	.	.			trans	-64.1	-30.2	177.1	75.6	-82.9	0	0	0	113.1	E172 I174 L192 W300 P301 S302 S306 R307 L308 L326	E172-W304 PolarHBondContact OE2-NE1 3.22Å; I174-W304 HydrophobicContact CD1-CH2 3.87Å; I174-W304 HydrophobicContact CD1-CZ2 4.31Å; L192-W304 HydrophobicContact CD1-CB 4.22Å; W300-W304 HydrophobicContact CB-CB 4.21Å; W300-W304 HydrophobicContact CB-CD2 3.85Å; W300-W304 HydrophobicContact CB-CG 3.55Å; W300-W304 AromaticContact CD2-CD2 3.74Å; W300-W304 HydrophobicContact CD2-CD2 3.74Å; W300-W304 AromaticContact CD2-CE3 3.74Å; W300-W304 HydrophobicContact CD2-CE3 3.74Å; W300-W304 HydrophobicContact CD2-CG 4.19Å; W300-W304 HydrophobicContact CD2-CH2 4.42Å; W300-W304 HydrophobicContact CD2-CZ2 4.46Å; W300-W304 HydrophobicContact CD2-CZ3 4.07Å; W300-W304 HydrophobicContact CE3-CB 4.04Å; W300-W304 AromaticContact CE3-CD2 3.55Å; W300-W304 HydrophobicContact CE3-CD2 3.55Å; W300-W304 AromaticContact CE3-CE3 3.3Å; W300-W304 HydrophobicContact CE3-CE3 3.3Å; W300-W304 AromaticContact CE3-CG 3.89Å; W300-W304 HydrophobicContact CE3-CG 3.89Å; W300-W304 AromaticContact CE3-CZ3 3.92Å; W300-W304 HydrophobicContact CE3-CZ3 3.92Å; W300-W304 AromaticContact CG-CD2 3.88Å; W300-W304 HydrophobicContact CG-CD2 3.88Å; W300-W304 AromaticContact CG-CE2 3.87Å; W300-W304 HydrophobicContact CG-CE3 4.35Å; W300-W304 HydrophobicContact CG-CG 4.09Å; W300-W304 HydrophobicContact CG-CZ2 4.33Å; W300-W304 HydrophobicContact CH2-CE3 4.33Å; W300-W304 HydrophobicContact CH2-CZ3 4.25Å; W300-W304 HydrophobicContact CZ2-CZ3 4.4Å; W300-W304 HydrophobicContact CZ3-CD2 4.34Å; W300-W304 AromaticContact CZ3-CE3 3.63Å; W300-W304 HydrophobicContact CZ3-CE3 3.63Å; W300-W304 HydrophobicContact CZ3-CZ3 4.01Å; P301-W304 HydrophobicContact CG-CB 4.42Å; P301-W304 WeakPolarHBondContact O-CB 3.5Å; P301-W304 VanDerWaalsContact O-CD1 3.23Å; P301-W304 PolarHBondContact O-N 3.39Å; S302-W304 PolarHBondContact O-N 3Å; W304-S306 VanDerWaalsContact C-N 3.32Å; W304-S306 PolarHBondContact O-N 2.79Å; W304-R307 WeakPolarHBondContact O-CA 3.42Å; W304-R307 VanDerWaalsContact O-CB 3.23Å; W304-R307 WeakPolarHBondContact O-CB 3.43Å; W304-R307 PolarHBondContact O-N 2.91Å; W304-L308 HydrophobicContact CE3-CD1 4.48Å; W304-L308 HydrophobicContact CE3-CD2 4.3Å; W304-L308 HydrophobicContact CE3-CG 4.36Å; W304-L308 HydrophobicContact CH2-CD1 4.42Å; W304-L308 HydrophobicContact CZ3-CD1 3.92Å; W304-L308 HydrophobicContact CZ3-CD2 3.95Å; W304-L308 HydrophobicContact CZ3-CG 4.15Å; W304-L326 HydrophobicContact CH2-CD1 4.04Å; W304-L326 HydrophobicContact CH2-CD2 3.77Å; W304-L326 HydrophobicContact CH2-CG 4.39Å; W304-L326 HydrophobicContact CZ2-CD2 3.95Å
305	R	94.6	Very high	93.7	Very high	10 Å²	10	38.4 Å²	38.4	4%	0.038	24%	0.238	C	C	.	.	G	3₁₀ helix	trans	-54.3	-45.6	175.6	-76.4	-167.4	171.8	73.9	-1	112	E172 G303 R307 L308 L326 E329	E172-R305 IonicContact OE1-CZ 3.97Å; E172-R305 IonicContact OE1-NH1 3.22Å; E172-R305 PolarHBondContact OE1-NH1 2.9Å; E172-R305 IonicContact OE1-NH2 3.04Å; E172-R305 PolarHBondContact OE1-NH2 2.91Å; E172-R305 IonicContact OE2-CZ 3.18Å; E172-R305 IonicContact OE2-NH1 3.77Å; E172-R305 PolarHBondContact OE2-NH1 3.45Å; E172-R305 IonicContact OE2-NH2 3.97Å; G303-R305 VanDerWaalsContact C-N 3.27Å; G303-R305 PolarHBondContact O-N 2.71Å; R305-R307 PolarHBondContact O-N 3.13Å; R305-L308 VanDerWaalsContact O-CB 3.29Å; R305-L308 WeakPolarHBondContact O-CB 3.45Å; R305-L308 WeakPolarHBondContact O-CG 3.48Å; R305-L308 PolarHBondContact O-N 3.08Å; R305-L326 VanDerWaalsContact CB-O 3.27Å; R305-L326 WeakPolarHBondContact CB-O 3.36Å; R305-L326 WeakPolarHBondContact CD-O 3.19Å; R305-L326 WeakPolarHBondContact CG-O 3.39Å; R305-E329 HydrophobicContact CB-CG 4.49Å
306	S	92.9	Very high	93.8	Very high	81 Å²	81	39.1 Å²	39.1	57%	0.566	24%	0.239	S	C	*	.	G	3₁₀ helix	trans	-58.5	-16.3	174.8	75.1	0	0	0	0	114.4	G303 W304	G303-S306 PolarHBondContact O-N 3.03Å; G303-S306 PolarHBondContact O-OG 2.97Å; W304-S306 VanDerWaalsContact C-N 3.32Å; W304-S306 PolarHBondContact O-N 2.79Å
307	R	93	Very high	93.9	Very high	85 Å²	85	42.6 Å²	42.6	32%	0.321	26%	0.255	S	S	.	.	G	3₁₀ helix	trans	-90.6	-8.6	179.3	-54.5	-179.2	-172.1	-170.5	7.3	112.8	Y188 R281 W304 R305	Y188-R307 WeakPolarHBondContact CE1-O 3.47Å; R281-R307 WeakPolarHBondContact CD-O 3.43Å; R281-R307 PolarHBondContact NE-O 3.24Å; R281-R307 VanDerWaalsContact NH1-CA 3.28Å; R281-R307 PolarHBondContact NH1-O 2.87Å; W304-R307 WeakPolarHBondContact O-CA 3.42Å; W304-R307 VanDerWaalsContact O-CB 3.23Å; W304-R307 WeakPolarHBondContact O-CB 3.43Å; W304-R307 PolarHBondContact O-N 2.91Å; R305-R307 PolarHBondContact O-N 3.13Å
308	L	95.1	Very high	94	Very high	11 Å²	11	42.5 Å²	42.5	6%	0.058	25%	0.254	C	S	.	.	S	Bend	trans	-67.3	145.7	172	-62.8	177.3	0	0	0	110.4	Y188 W304 R305 L326 L327	Y188-L308 HydrophobicContact CD1-CD2 4.09Å; Y188-L308 HydrophobicContact CD2-CD2 3.81Å; Y188-L308 HydrophobicContact CE1-CD2 4.04Å; Y188-L308 HydrophobicContact CE2-CD2 3.72Å; Y188-L308 HydrophobicContact CG-CD2 3.97Å; W304-L308 HydrophobicContact CE3-CD1 4.48Å; W304-L308 HydrophobicContact CE3-CD2 4.3Å; W304-L308 HydrophobicContact CE3-CG 4.36Å; W304-L308 HydrophobicContact CH2-CD1 4.42Å; W304-L308 HydrophobicContact CZ3-CD1 3.92Å; W304-L308 HydrophobicContact CZ3-CD2 3.95Å; W304-L308 HydrophobicContact CZ3-CG 4.15Å; R305-L308 VanDerWaalsContact O-CB 3.29Å; R305-L308 WeakPolarHBondContact O-CB 3.45Å; R305-L308 WeakPolarHBondContact O-CG 3.48Å; R305-L308 PolarHBondContact O-N 3.08Å; L308-L326 HydrophobicContact CD1-CB 3.73Å; L308-L326 HydrophobicContact CD1-CD1 4.48Å; L308-L327 HydrophobicContact CB-CD2 3.87Å; L308-L327 HydrophobicContact CD1-CD2 4.24Å
309	C	96.1	Very high	94	Very high	12 Å²	12	43.9 Å²	43.9	8%	0.081	27%	0.268	C	S	.	.			trans	-75.3	130.6	177.4	-168.5	0	0	0	0	110.6	Y188 R281 L282 C311 C314	Y188-C309 WeakPolarHBondContact OH-CB 2.84Å; Y188-C309 PolarHBondContact OH-N 3.25Å; R281-C309 HydrophobicContact CB-CB 3.95Å; R281-C309 PolarHBondContact N-SG 3.34Å; R281-C309 VanDerWaalsContact N-SG 3.4Å; L282-C309 HydrophobicContact CB-CB 4.41Å; C309-C311 VanDerWaalsContact SG-SG 3.66Å; C309-C314 HydrophobicContact CB-CB 4.03Å; C309-C314 VanDerWaalsContact O-CB 3.28Å; C309-C314 WeakPolarHBondContact O-CB 3.38Å
310	S	95.2	Very high	94.2	Very high	79 Å²	79	48.8 Å²	48.8	55%	0.552	30%	0.295	S	S	*	.			trans	-105	19.8	178.2	56.7	0	0	0	0	113.5	Q315	S310-Q315 PolarHBondContact O-NE2 2.89Å
311	C	95.8	Very high	94.3	Very high	24 Å²	24	50.3 Å²	50.3	16%	0.162	31%	0.308	C	S	.	.	S	Bend	trans	-68.7	158	173.5	76.7	0	0	0	0	111.2	C309 T313 C314 Q315	C309-C311 VanDerWaalsContact SG-SG 3.66Å; C311-T313 VanDerWaalsContact C-N 3.28Å; C311-T313 PolarHBondContact O-N 3.36Å; C311-C314 PolarHBondContact O-N 3.02Å; C311-C314 PolarHBondContact SG-N 2.86Å; C311-Q315 WeakPolarHBondContact O-CG 3.47Å; C311-Q315 PolarHBondContact O-N 3.38Å
312	S	95.8	Very high	94.6	Very high	83 Å²	83	51.3 Å²	51.3	58%	0.58	32%	0.321	S	S	*	.	H	α-helix	trans	-51.4	-44.5	-177.6	56.2	0	0	0	0	112.9	C314 Q315 V316	S312-C314 PolarHBondContact O-N 3.14Å; S312-Q315 PolarHBondContact O-N 2.51Å; S312-V316 WeakPolarHBondContact O-CG2 3.3Å; S312-V316 PolarHBondContact O-N 2.88Å
313	T	96	Very high	95	Very high	77 Å²	77	48.6 Å²	48.6	47%	0.472	30%	0.302	S	S	.	.	H	α-helix	trans	-62.2	-43	177.4	-46.8	0	0	0	0	112.6	C311 Q317	C311-T313 VanDerWaalsContact C-N 3.28Å; C311-T313 PolarHBondContact O-N 3.36Å; T313-Q317 WeakPolarHBondContact O-CB 3.36Å; T313-Q317 PolarHBondContact O-N 2.72Å
314	C	96.1	Very high	95.5	Very high	4 Å²	4	50 Å²	50	3%	0.027	31%	0.306	C	S	.	.	H	α-helix	trans	-72.7	-34.8	179.9	-70.7	0	0	0	0	112	C280 C309 C311 S312 Q317 L318	C280-C314 PolarHBondContact SG-SG 3.02Å; C309-C314 HydrophobicContact CB-CB 4.03Å; C309-C314 VanDerWaalsContact O-CB 3.28Å; C309-C314 WeakPolarHBondContact O-CB 3.38Å; C311-C314 PolarHBondContact O-N 3.02Å; C311-C314 PolarHBondContact SG-N 2.86Å; S312-C314 PolarHBondContact O-N 3.14Å; C314-Q317 PolarHBondContact O-N 3.06Å; C314-L318 WeakPolarHBondContact O-CB 3.16Å; C314-L318 WeakPolarHBondContact O-CG 3.32Å; C314-L318 PolarHBondContact O-N 3.04Å
315	Q	96	Very high	95.6	Very high	98 Å²	98	51.7 Å²	51.7	46%	0.458	31%	0.314	S	S	.	.	H	α-helix	trans	-63.4	-44.1	174.5	-69.8	-173.1	23.2	0	0	111.4	S310 C311 S312 L318 A319 L327	S310-Q315 PolarHBondContact O-NE2 2.89Å; C311-Q315 WeakPolarHBondContact O-CG 3.47Å; C311-Q315 PolarHBondContact O-N 3.38Å; S312-Q315 PolarHBondContact O-N 2.51Å; Q315-L318 PolarHBondContact O-N 3.39Å; Q315-A319 WeakPolarHBondContact O-CB 3.31Å; Q315-A319 PolarHBondContact O-N 2.8Å; Q315-L327 HydrophobicContact CG-CD1 4.32Å
316	V	96.6	Very high	95.7	Very high	83 Å²	83	51.2 Å²	51.2	50%	0.503	31%	0.312	S	S	.	.	H	α-helix	trans	-61.8	-46.4	174.4	173	0	0	0	0	110.6	S312 L318 A319 D320	S312-V316 WeakPolarHBondContact O-CG2 3.3Å; S312-V316 PolarHBondContact O-N 2.88Å; V316-L318 VanDerWaalsContact C-N 3.32Å; V316-L318 PolarHBondContact O-N 3.27Å; V316-A319 PolarHBondContact O-N 3.18Å; V316-A319 VanDerWaalsContact O-N 3.13Å; V316-D320 WeakPolarHBondContact O-CB 3.4Å; V316-D320 VanDerWaalsContact O-CG 3.32Å; V316-D320 PolarHBondContact O-N 2.95Å
317	Q	95.8	Very high	95.7	Very high	74 Å²	74	50.5 Å²	50.5	35%	0.346	30%	0.302	S	S	.	.	H	α-helix	trans	-60	-39.9	177.9	-174.3	176.8	9	0	0	112.8	T313 C314 A321	T313-Q317 WeakPolarHBondContact O-CB 3.36Å; T313-Q317 PolarHBondContact O-N 2.72Å; C314-Q317 PolarHBondContact O-N 3.06Å; Q317-A321 VanDerWaalsContact O-CB 3.28Å; Q317-A321 WeakPolarHBondContact O-CB 3.43Å; Q317-A321 PolarHBondContact O-N 3.27Å; Q317-A321 VanDerWaalsContact O-N 3.16Å
318	L	96.6	Very high	95.8	Very high	6 Å²	6	48.9 Å²	48.9	3%	0.031	30%	0.3	C	S	.	.	H	α-helix	trans	-67.6	-41	174.9	-76.7	166	0	0	0	111.5	F184 C314 Q315 V316 A321 G322 L323 L327	F184-L318 HydrophobicContact CE2-CD2 3.92Å; F184-L318 HydrophobicContact CZ-CD2 3.81Å; C314-L318 WeakPolarHBondContact O-CB 3.16Å; C314-L318 WeakPolarHBondContact O-CG 3.32Å; C314-L318 PolarHBondContact O-N 3.04Å; Q315-L318 PolarHBondContact O-N 3.39Å; V316-L318 VanDerWaalsContact C-N 3.32Å; V316-L318 PolarHBondContact O-N 3.27Å; L318-A321 CarbonylContact O-C 3.2Å; L318-A321 PolarHBondContact O-N 3.2Å; L318-G322 PolarHBondContact O-N 2.8Å; L318-G322 VanDerWaalsContact O-N 3.13Å; L318-L323 HydrophobicContact CD2-CB 3.83Å; L318-L323 PolarHBondContact O-N 2.7Å; L318-L327 HydrophobicContact CD1-CD1 3.87Å; L318-L327 HydrophobicContact CD1-CD2 3.89Å; L318-L327 HydrophobicContact CD1-CG 3.89Å
319	A	96.7	Very high	95.6	Very high	50 Å²	50	53.4 Å²	53.4	41%	0.413	32%	0.321	S	S	.	.	H	α-helix	trans	-65	-46.3	178.3	0	0	0	0	0	112.3	Q315 V316 A321 G322 S324	Q315-A319 WeakPolarHBondContact O-CB 3.31Å; Q315-A319 PolarHBondContact O-N 2.8Å; V316-A319 PolarHBondContact O-N 3.18Å; V316-A319 VanDerWaalsContact O-N 3.13Å; A319-A321 PolarHBondContact O-N 3.49Å; A319-G322 WeakPolarHBondContact O-CA 3.29Å; A319-G322 PolarHBondContact O-N 3.35Å; A319-S324 VanDerWaalsContact CA-OG 3.25Å; A319-S324 WeakPolarHBondContact CA-OG 3.39Å
320	D	96.6	Very high	95.4	Very high	136 Å²	136	54.9 Å²	54.9	73%	0.727	33%	0.334	S	S	*	.	H	α-helix	trans	-62.5	-33	176.9	-68.6	-15.6	0	0	0	111.6	V316 G322	V316-D320 WeakPolarHBondContact O-CB 3.4Å; V316-D320 VanDerWaalsContact O-CG 3.32Å; V316-D320 PolarHBondContact O-N 2.95Å; D320-G322 VanDerWaalsContact C-N 3.27Å; D320-G322 PolarHBondContact O-N 2.83Å
321	A	95.8	Very high	95.2	Very high	32 Å²	32	51.6 Å²	51.6	26%	0.264	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.8	-7.9	173.6	0	0	0	0	0	113.8	Q317 L318 A319 L323	Q317-A321 VanDerWaalsContact O-CB 3.28Å; Q317-A321 WeakPolarHBondContact O-CB 3.43Å; Q317-A321 PolarHBondContact O-N 3.27Å; Q317-A321 VanDerWaalsContact O-N 3.16Å; L318-A321 CarbonylContact O-C 3.2Å; L318-A321 PolarHBondContact O-N 3.2Å; A319-A321 PolarHBondContact O-N 3.49Å; A321-L323 VanDerWaalsContact C-N 3.3Å; A321-L323 HydrophobicContact CB-CB 4.41Å; A321-L323 HydrophobicContact CB-CD1 4.09Å; A321-L323 HydrophobicContact CB-CG 4Å
322	G	95.2	Very high	95	Very high	37 Å²	37	51.4 Å²	51.4	38%	0.381	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	70.2	23.3	-174.4	0	0	0	0	0	114.2	L318 A319 D320 F325	L318-G322 PolarHBondContact O-N 2.8Å; L318-G322 VanDerWaalsContact O-N 3.13Å; A319-G322 WeakPolarHBondContact O-CA 3.29Å; A319-G322 PolarHBondContact O-N 3.35Å; D320-G322 VanDerWaalsContact C-N 3.27Å; D320-G322 PolarHBondContact O-N 2.83Å; G322-F325 VanDerWaalsContact O-CE1 3.25Å; G322-F325 WeakPolarHBondContact O-CE1 3.49Å
323	L	96.8	Very high	94.7	Very high	2 Å²	2	49.1 Å²	49.1	1%	0.01	29%	0.29	C	S	.	.			trans	-110.3	14.9	-173.8	-63.3	-177.1	0	0	0	114	V150 H182 F184 L185 L318 A321 F325 L326	V150-L323 HydrophobicContact CB-CD2 4.4Å; V150-L323 HydrophobicContact CG1-CD2 3.64Å; V150-L323 HydrophobicContact CG2-CD2 4.02Å; H182-L323 HydrophobicContact CB-CD1 4.03Å; F184-L323 HydrophobicContact CE1-CD1 4.47Å; F184-L323 HydrophobicContact CZ-CD1 3.93Å; L185-L323 HydrophobicContact CD1-CD1 4.46Å; L318-L323 HydrophobicContact CD2-CB 3.83Å; L318-L323 PolarHBondContact O-N 2.7Å; A321-L323 VanDerWaalsContact C-N 3.3Å; A321-L323 HydrophobicContact CB-CB 4.41Å; A321-L323 HydrophobicContact CB-CD1 4.09Å; A321-L323 HydrophobicContact CB-CG 4Å; L323-F325 HydrophobicContact CD2-CE1 3.84Å; L323-F325 HydrophobicContact CD2-CZ 3.74Å; L323-F325 PolarHBondContact O-N 2.75Å; L323-F325 VanDerWaalsContact O-N 3.08Å; L323-L326 HydrophobicContact CB-CD1 3.98Å; L323-L326 HydrophobicContact CB-CG 4.33Å; L323-L326 HydrophobicContact CD1-CD1 4.15Å; L323-L326 HydrophobicContact CD2-CD1 4.41Å; L323-L326 HydrophobicContact CG-CD1 4.42Å; L323-L326 WeakPolarHBondContact O-CB 3.5Å; L323-L326 PolarHBondContact O-N 2.79Å
324	S	96.1	Very high	94.3	Very high	61 Å²	61	48.8 Å²	48.8	43%	0.427	29%	0.285	S	S	.	.	G	3₁₀ helix	trans	-55.6	-28	179.3	-57.3	0	0	0	0	113.5	A319 L326 L327	A319-S324 VanDerWaalsContact CA-OG 3.25Å; A319-S324 WeakPolarHBondContact CA-OG 3.39Å; S324-L326 PolarHBondContact O-N 3.01Å; S324-L327 PolarHBondContact O-N 2.95Å; S324-L327 VanDerWaalsContact O-N 3.13Å
325	F	95.1	Very high	93.9	Very high	41 Å²	41	49.7 Å²	49.7	18%	0.18	29%	0.293	C	S	.	.	G	3₁₀ helix	trans	-62.4	-21.5	176.6	66.3	-98.6	0	0	0	113.2	R88 V149 G322 L323 L327 D328 D331	R88-F325 VanDerWaalsContact CZ-CE2 3.49Å; R88-F325 VanDerWaalsContact NH1-CE2 3.26Å; V149-F325 WeakPolarHBondContact O-CE2 3.28Å; G322-F325 VanDerWaalsContact O-CE1 3.25Å; G322-F325 WeakPolarHBondContact O-CE1 3.49Å; L323-F325 HydrophobicContact CD2-CE1 3.84Å; L323-F325 HydrophobicContact CD2-CZ 3.74Å; L323-F325 PolarHBondContact O-N 2.75Å; L323-F325 VanDerWaalsContact O-N 3.08Å; F325-L327 PolarHBondContact O-N 3.14Å; F325-L327 VanDerWaalsContact O-N 3.16Å; F325-D328 PolarHBondContact O-N 2.91Å; F325-D331 VanDerWaalsContact CD2-OD1 3.23Å; F325-D331 WeakPolarHBondContact CD2-OD1 3.49Å
326	L	95.9	Very high	93.5	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	27%	0.272	C	S	.	.	G	3₁₀ helix	trans	-65.9	-13.5	175.1	-66	-179.2	0	0	0	113.2	L185 W304 R305 L308 L323 S324	L185-L326 HydrophobicContact CD2-CD1 4.47Å; W304-L326 HydrophobicContact CH2-CD1 4.04Å; W304-L326 HydrophobicContact CH2-CD2 3.77Å; W304-L326 HydrophobicContact CH2-CG 4.39Å; W304-L326 HydrophobicContact CZ2-CD2 3.95Å; R305-L326 VanDerWaalsContact CB-O 3.27Å; R305-L326 WeakPolarHBondContact CB-O 3.36Å; R305-L326 WeakPolarHBondContact CD-O 3.19Å; R305-L326 WeakPolarHBondContact CG-O 3.39Å; L308-L326 HydrophobicContact CD1-CB 3.73Å; L308-L326 HydrophobicContact CD1-CD1 4.48Å; L323-L326 HydrophobicContact CB-CD1 3.98Å; L323-L326 HydrophobicContact CB-CG 4.33Å; L323-L326 HydrophobicContact CD1-CD1 4.15Å; L323-L326 HydrophobicContact CD2-CD1 4.41Å; L323-L326 HydrophobicContact CG-CD1 4.42Å; L323-L326 WeakPolarHBondContact O-CB 3.5Å; L323-L326 PolarHBondContact O-N 2.79Å; S324-L326 PolarHBondContact O-N 3.01Å
327	L	94.7	Very high	93	Very high	66 Å²	66	44.2 Å²	44.2	35%	0.346	26%	0.262	S	S	.	.	G	3₁₀ helix	trans	-90.7	-11.9	174.2	-59.7	179.4	0	0	0	113	L308 Q315 L318 S324 F325	L308-L327 HydrophobicContact CB-CD2 3.87Å; L308-L327 HydrophobicContact CD1-CD2 4.24Å; Q315-L327 HydrophobicContact CG-CD1 4.32Å; L318-L327 HydrophobicContact CD1-CD1 3.87Å; L318-L327 HydrophobicContact CD1-CD2 3.89Å; L318-L327 HydrophobicContact CD1-CG 3.89Å; S324-L327 PolarHBondContact O-N 2.95Å; S324-L327 VanDerWaalsContact O-N 3.13Å; F325-L327 PolarHBondContact O-N 3.14Å; F325-L327 VanDerWaalsContact O-N 3.16Å
328	D	93.9	Very high	92.5	Very high	51 Å²	51	44 Å²	44	27%	0.273	26%	0.263	S	S	.	.			trans	-96	110.6	179.9	-172.7	-2.2	0	0	0	109.7	K47 F325 A330 D331	K47-D328 IonicContact NZ-OD2 4Å; K47-D328 PolarHBondContact NZ-OD2 3.09Å; F325-D328 PolarHBondContact O-N 2.91Å; D328-A330 PolarHBondContact O-N 2.95Å; D328-A330 VanDerWaalsContact OD1-CB 3.3Å; D328-A330 WeakPolarHBondContact OD1-CB 3.35Å; D328-A330 PolarHBondContact OD1-N 2.87Å; D328-D331 HydrophobicContact CB-CB 4.11Å; D328-D331 VanDerWaalsContact O-CB 3.24Å; D328-D331 WeakPolarHBondContact O-CB 3.33Å; D328-D331 PolarHBondContact O-N 2.91Å
329	E	91.6	Very high	91.8	Very high	106 Å²	106	48.7 Å²	48.7	50%	0.495	28%	0.283	S	S	.	.	G	3₁₀ helix	trans	-70.7	-18.8	177.2	-62.6	-154.7	162.7	0	0	112.8	R305 D331 T332	R305-E329 HydrophobicContact CB-CG 4.49Å; E329-D331 PolarHBondContact O-N 3.44Å; E329-T332 VanDerWaalsContact O-CG2 3.32Å; E329-T332 WeakPolarHBondContact O-CG2 3.2Å; E329-T332 PolarHBondContact O-OG1 2.88Å
330	A	90.4	Very high	90.5	Very high	43 Å²	43	46.4 Å²	46.4	36%	0.355	26%	0.264	S	S	.	.	G	3₁₀ helix	trans	-78.2	-4.2	173.9	0	0	0	0	0	113.3	D328	D328-A330 PolarHBondContact O-N 2.95Å; D328-A330 VanDerWaalsContact OD1-CB 3.3Å; D328-A330 WeakPolarHBondContact OD1-CB 3.35Å; D328-A330 PolarHBondContact OD1-N 2.87Å
331	D	92.6	Very high	89.2	Confident	9 Å²	9	43.1 Å²	43.1	5%	0.048	24%	0.244	C	C	.	.	G	3₁₀ helix	trans	-84.8	-11.5	175.2	-172.9	-105.4	0	0	0	113.5	R48 R88 F325 D328 E329	R48-D331 WeakPolarHBondContact CD-O 3.48Å; R48-D331 PolarHBondContact NE-O 3.28Å; R88-D331 WeakPolarHBondContact CD-OD1 3.46Å; R88-D331 WeakPolarHBondContact CD-OD2 3.5Å; R88-D331 WeakPolarHBondContact CG-OD2 3.26Å; R88-D331 IonicContact CZ-OD1 2.64Å; R88-D331 IonicContact NE-OD1 3.82Å; R88-D331 IonicContact NH1-OD1 3.17Å; R88-D331 PolarHBondContact NH1-OD1 3.48Å; F325-D331 VanDerWaalsContact CD2-OD1 3.23Å; F325-D331 WeakPolarHBondContact CD2-OD1 3.49Å; D328-D331 HydrophobicContact CB-CB 4.11Å; D328-D331 VanDerWaalsContact O-CB 3.24Å; D328-D331 WeakPolarHBondContact O-CB 3.33Å; D328-D331 PolarHBondContact O-N 2.91Å; E329-D331 PolarHBondContact O-N 3.44Å
332	T	91.4	Very high	87.7	Confident	21 Å²	21	46.3 Å²	46.3	13%	0.129	26%	0.256	C	S	.	.	S	Bend	trans	-62.9	151	-178.5	64.9	0	0	0	0	111.3	E329 L334 A335 Y336	E329-T332 VanDerWaalsContact O-CG2 3.32Å; E329-T332 WeakPolarHBondContact O-CG2 3.2Å; E329-T332 PolarHBondContact O-OG1 2.88Å; T332-L334 VanDerWaalsContact C-N 3.25Å; T332-L334 PolarHBondContact O-N 3.26Å; T332-A335 PolarHBondContact O-N 3.07Å; T332-A335 WeakPolarHBondContact OG1-CA 3.34Å; T332-A335 WeakPolarHBondContact OG1-CB 3.25Å; T332-A335 PolarHBondContact OG1-N 3.3Å; T332-Y336 PolarHBondContact O-N 2.91Å
333	V	88.6	Confident	86.1	Confident	34 Å²	34	47.5 Å²	47.5	21%	0.206	25%	0.254	C	S	.	.	H	α-helix	trans	-59.1	-42.9	170	175.8	0	0	0	0	109.7	T86 A335 Y336 E337	T86-V333 HydrophobicContact CG2-CG1 4Å; T86-V333 HydrophobicContact CG2-CG2 4.15Å; V333-A335 PolarHBondContact O-N 3.4Å; V333-Y336 CarbonylContact O-C 3.6Å; V333-Y336 WeakPolarHBondContact O-CA 3.46Å; V333-Y336 VanDerWaalsContact O-CB 3.24Å; V333-Y336 WeakPolarHBondContact O-CB 3.48Å; V333-Y336 PolarHBondContact O-N 2.97Å; V333-E337 HydrophobicContact CG1-CG 4.23Å; V333-E337 WeakPolarHBondContact CG1-OE1 3.24Å; V333-E337 WeakPolarHBondContact O-CG 3.46Å; V333-E337 PolarHBondContact O-N 3Å
334	L	86.9	Confident	84.1	Confident	71 Å²	71	49.1 Å²	49.1	37%	0.372	26%	0.261	S	S	.	.	H	α-helix	trans	-58.1	-42.5	175.6	-178.3	61.7	0	0	0	113.4	T332 Y336 E337 N338	T332-L334 VanDerWaalsContact C-N 3.25Å; T332-L334 PolarHBondContact O-N 3.26Å; L334-Y336 VanDerWaalsContact C-N 3.25Å; L334-Y336 PolarHBondContact O-N 2.81Å; L334-E337 PolarHBondContact O-N 2.84Å; L334-N338 VanDerWaalsContact O-CB 3.31Å; L334-N338 WeakPolarHBondContact O-CB 3.14Å; L334-N338 PolarHBondContact O-N 3.02Å; L334-N338 PolarHBondContact O-ND2 3.13Å; L334-N338 VanDerWaalsContact O-ND2 3.08Å
335	A	88.6	Confident	81.9	Confident	22 Å²	22	52.6 Å²	52.6	18%	0.182	27%	0.271	C	S	.	.	H	α-helix	trans	-70.1	-25.2	176	0	0	0	0	0	112.3	T332 V333 K339	T332-A335 PolarHBondContact O-N 3.07Å; T332-A335 WeakPolarHBondContact OG1-CA 3.34Å; T332-A335 WeakPolarHBondContact OG1-CB 3.25Å; T332-A335 PolarHBondContact OG1-N 3.3Å; V333-A335 PolarHBondContact O-N 3.4Å; A335-K339 WeakPolarHBondContact O-CE 3.19Å; A335-K339 WeakPolarHBondContact O-CG 3.37Å
336	Y	88.1	Confident	79.7	Confident	8 Å²	8	60.8 Å²	60.8	3%	0.031	30%	0.3	C	S	.	.	H	α-helix	trans	-70.5	-55.8	169.1	176.4	-96.3	0	0	0	109.4	V30 L31 A32 S34 R48 A50 T86 T332 V333 L334 N338 K339	V30-Y336 WeakPolarHBondContact O-CE1 3.47Å; L31-Y336 PolarHBondContact O-OH 3.23Å; A32-Y336 HydrophobicContact CB-CD1 3.36Å; A32-Y336 HydrophobicContact CB-CD2 3.71Å; A32-Y336 HydrophobicContact CB-CE1 3.16Å; A32-Y336 HydrophobicContact CB-CE2 3.56Å; A32-Y336 HydrophobicContact CB-CG 3.62Å; A32-Y336 WeakPolarHBondContact CB-O 3.5Å; S34-Y336 PolarHBondContact OG-OH 3.19Å; R48-Y336 HydrophobicContact CB-CD2 3.45Å; R48-Y336 VanDerWaalsContact CB-CD2 3.45Å; R48-Y336 HydrophobicContact CB-CE2 3.9Å; R48-Y336 HydrophobicContact CB-CG 4.16Å; R48-Y336 WeakPolarHBondContact O-CE2 3.34Å; A50-Y336 PolarHBondContact N-OH 3.48Å; T86-Y336 HydrophobicContact CG2-CD1 3.69Å; T86-Y336 HydrophobicContact CG2-CE1 3.93Å; T86-Y336 HydrophobicContact CG2-CG 4.37Å; T332-Y336 PolarHBondContact O-N 2.91Å; V333-Y336 CarbonylContact O-C 3.6Å; V333-Y336 WeakPolarHBondContact O-CA 3.46Å; V333-Y336 VanDerWaalsContact O-CB 3.24Å; V333-Y336 WeakPolarHBondContact O-CB 3.48Å; V333-Y336 PolarHBondContact O-N 2.97Å; L334-Y336 VanDerWaalsContact C-N 3.25Å; L334-Y336 PolarHBondContact O-N 2.81Å; Y336-N338 VanDerWaalsContact C-N 3.33Å; Y336-N338 PolarHBondContact O-N 3Å; Y336-K339 VanDerWaalsContact O-CB 3.27Å; Y336-K339 WeakPolarHBondContact O-CB 3.47Å; Y336-K339 PolarHBondContact O-N 3.2Å
337	E	85.8	Confident	77.5	Confident	59 Å²	59	66.4 Å²	66.4	28%	0.276	33%	0.326	S	S	.	.	H	α-helix	trans	-54.3	-44.5	179.3	-69.8	165.7	168.3	0	0	113.7	A29 V333 L334 K339 G340 K341	A29-E337 HydrophobicContact CB-CB 4.04Å; A29-E337 HydrophobicContact CB-CG 4.2Å; A29-E337 VanDerWaalsContact O-CA 3.24Å; A29-E337 WeakPolarHBondContact O-CA 3.42Å; A29-E337 WeakPolarHBondContact O-CG 3.32Å; V333-E337 HydrophobicContact CG1-CG 4.23Å; V333-E337 WeakPolarHBondContact CG1-OE1 3.24Å; V333-E337 WeakPolarHBondContact O-CG 3.46Å; V333-E337 PolarHBondContact O-N 3Å; L334-E337 PolarHBondContact O-N 2.84Å; E337-K339 PolarHBondContact O-N 2.9Å; E337-K339 VanDerWaalsContact O-N 3.14Å; E337-G340 WeakPolarHBondContact O-CA 3.32Å; E337-G340 PolarHBondContact O-N 2.92Å; E337-K341 PolarHBondContact O-N 3.49Å
338	N	84.4	Confident	75.2	Confident	70 Å²	70	70.1 Å²	70.1	37%	0.374	34%	0.342	S	S	.	.	H	α-helix	trans	-61.9	-22.7	177	-73.3	-30.2	0	0	0	113.3	L334 Y336 N342	L334-N338 VanDerWaalsContact O-CB 3.31Å; L334-N338 WeakPolarHBondContact O-CB 3.14Å; L334-N338 PolarHBondContact O-N 3.02Å; L334-N338 PolarHBondContact O-ND2 3.13Å; L334-N338 VanDerWaalsContact O-ND2 3.08Å; Y336-N338 VanDerWaalsContact C-N 3.33Å; Y336-N338 PolarHBondContact O-N 3Å; N338-N342 WeakPolarHBondContact O-CB 3.42Å; N338-N342 VanDerWaalsContact O-CG 3.26Å; N338-N342 PolarHBondContact O-N 2.87Å; N338-N342 PolarHBondContact O-ND2 2.77Å
339	K	81.9	Confident	72.8	Confident	103 Å²	103	71 Å²	71	45%	0.448	36%	0.363	S	S	.	.	H	α-helix	trans	-70.1	-36.3	172.6	-69.8	165.7	-172.7	168.2	0	111.3	A335 Y336 E337 N343	A335-K339 WeakPolarHBondContact O-CE 3.19Å; A335-K339 WeakPolarHBondContact O-CG 3.37Å; Y336-K339 VanDerWaalsContact O-CB 3.27Å; Y336-K339 WeakPolarHBondContact O-CB 3.47Å; Y336-K339 PolarHBondContact O-N 3.2Å; E337-K339 PolarHBondContact O-N 2.9Å; E337-K339 VanDerWaalsContact O-N 3.14Å; K339-N343 WeakPolarHBondContact O-CB 3.39Å; K339-N343 PolarHBondContact O-N 2.81Å; K339-N343 VanDerWaalsContact O-N 3.09Å
340	G	70.2	Confident	70.6	Confident	2 Å²	2	72 Å²	72	2%	0.021	37%	0.368	C	S	.	.	H	α-helix	trans	-61.4	-55.5	174.9	0	0	0	0	0	111.9	S28 E337 N342 N343 E344	S28-G340 WeakPolarHBondContact O-CA 3.43Å; E337-G340 WeakPolarHBondContact O-CA 3.32Å; E337-G340 PolarHBondContact O-N 2.92Å; G340-N342 VanDerWaalsContact C-N 3.28Å; G340-N342 PolarHBondContact O-N 3.03Å; G340-N343 WeakPolarHBondContact O-CA 3.42Å; G340-N343 WeakPolarHBondContact O-CB 3.25Å; G340-N343 PolarHBondContact O-N 3.11Å; G340-E344 PolarHBondContact O-N 3Å
341	K	68.6	Low	68.9	Low	68 Å²	68	73.4 Å²	73.4	30%	0.296	37%	0.369	S	S	.	.	H	α-helix	trans	-55.1	-41.4	179.5	-60.6	-169	174.4	-148.6	0	113	E25 A29 E337 Q345	E25-K341 HydrophobicContact CG-CD 4.45Å; E25-K341 WeakPolarHBondContact OE1-CE 3.48Å; E25-K341 IonicContact OE1-NZ 3.51Å; E25-K341 PolarHBondContact OE1-NZ 3.13Å; A29-K341 HydrophobicContact CB-CG 4.44Å; E337-K341 PolarHBondContact O-N 3.49Å; K341-Q345 WeakPolarHBondContact O-CG 3.43Å; K341-Q345 PolarHBondContact O-N 2.91Å; K341-Q345 VanDerWaalsContact O-N 3.1Å
342	N	65.3	Low	66.9	Low	99 Å²	99	78 Å²	78	53%	0.529	40%	0.399	S	S	.	.	H	α-helix	trans	-71.2	-29.6	176.8	-73.4	-40.2	0	0	0	113.2	N338 G340 R346	N338-N342 WeakPolarHBondContact O-CB 3.42Å; N338-N342 VanDerWaalsContact O-CG 3.26Å; N338-N342 PolarHBondContact O-N 2.87Å; N338-N342 PolarHBondContact O-ND2 2.77Å; G340-N342 VanDerWaalsContact C-N 3.28Å; G340-N342 PolarHBondContact O-N 3.03Å; N342-R346 PolarHBondContact O-N 2.92Å
343	N	60.9	Low	65.1	Low	61 Å²	61	80.2 Å²	80.2	33%	0.326	41%	0.41	S	S	.	.	H	α-helix	trans	-77	-36.4	178.8	-150.1	30.9	0	0	0	111	K339 G340 R346 Q347	K339-N343 WeakPolarHBondContact O-CB 3.39Å; K339-N343 PolarHBondContact O-N 2.81Å; K339-N343 VanDerWaalsContact O-N 3.09Å; G340-N343 WeakPolarHBondContact O-CA 3.42Å; G340-N343 WeakPolarHBondContact O-CB 3.25Å; G340-N343 PolarHBondContact O-N 3.11Å; N343-R346 CarbonylContact O-C 3.51Å; N343-R346 WeakPolarHBondContact O-CA 3.48Å; N343-R346 WeakPolarHBondContact O-CB 3.44Å; N343-R346 PolarHBondContact O-N 3.27Å; N343-R346 VanDerWaalsContact O-N 3.14Å; N343-Q347 WeakPolarHBondContact O-CG 3.25Å; N343-Q347 PolarHBondContact O-N 3.13Å
344	E	54.3	Low	63.5	Low	37 Å²	37	83 Å²	83	17%	0.173	42%	0.422	C	S	.	.	H	α-helix	trans	-64	-44.6	170	-78.2	-172.7	133.6	0	0	112.9	S28 G340 R346 Q347 Q348	S28-E344 WeakPolarHBondContact CB-OE1 3.42Å; S28-E344 WeakPolarHBondContact CB-OE2 3.36Å; S28-E344 WeakPolarHBondContact OG-CG 3.41Å; S28-E344 PolarHBondContact OG-OE1 3.42Å; S28-E344 PolarHBondContact OG-OE2 3.36Å; G340-E344 PolarHBondContact O-N 3Å; E344-R346 PolarHBondContact O-N 3.34Å; E344-Q347 CarbonylContact O-C 3.55Å; E344-Q347 WeakPolarHBondContact O-CA 3.39Å; E344-Q347 PolarHBondContact O-N 3.48Å; E344-Q348 WeakPolarHBondContact O-CG 3.38Å; E344-Q348 PolarHBondContact O-N 3.32Å
345	Q	51.3	Low	62.2	Low	133 Å²	133	80.9 Å²	80.9	62%	0.621	41%	0.413	S	S	*	.	H	α-helix	trans	-56.7	-24.1	172.8	-76.2	178.2	-4.1	0	0	112.5	K341	K341-Q345 WeakPolarHBondContact O-CG 3.43Å; K341-Q345 PolarHBondContact O-N 2.91Å; K341-Q345 VanDerWaalsContact O-N 3.1Å
346	R	49.3	Very low	60.8	Low	214 Å²	214	82.5 Å²	82.5	81%	0.808	43%	0.426	S	S	*	.	H	α-helix	trans	-82	-30.4	170.5	-107	174.3	165.8	-169.5	-4.4	113.6	N342 N343 E344	N342-R346 PolarHBondContact O-N 2.92Å; N343-R346 CarbonylContact O-C 3.51Å; N343-R346 WeakPolarHBondContact O-CA 3.48Å; N343-R346 WeakPolarHBondContact O-CB 3.44Å; N343-R346 PolarHBondContact O-N 3.27Å; N343-R346 VanDerWaalsContact O-N 3.14Å; E344-R346 PolarHBondContact O-N 3.34Å
347	Q	49.4	Very low	59.3	Low	117 Å²	117	82.6 Å²	82.6	55%	0.547	43%	0.428	S	S	.	.	H	α-helix	trans	-93.7	-10.6	-179.6	-70.5	179.9	-0.2	0	0	114.4	N343 E344 G349 H350	N343-Q347 WeakPolarHBondContact O-CG 3.25Å; N343-Q347 PolarHBondContact O-N 3.13Å; E344-Q347 CarbonylContact O-C 3.55Å; E344-Q347 WeakPolarHBondContact O-CA 3.39Å; E344-Q347 PolarHBondContact O-N 3.48Å; Q347-G349 PolarHBondContact O-N 2.9Å; Q347-H350 WeakPolarHBondContact O-CA 3.43Å; Q347-H350 WeakPolarHBondContact O-CB 3.41Å; Q347-H350 PolarHBondContact O-N 3.29Å
348	Q	45.3	Very low	58.1	Low	144 Å²	144	85.6 Å²	85.6	67%	0.673	45%	0.445	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58	-7.8	170.7	-81.9	178.1	2.2	0	0	113	E344	E344-Q348 WeakPolarHBondContact O-CG 3.38Å; E344-Q348 PolarHBondContact O-N 3.32Å
349	G	44.1	Very low	57.4	Low	69 Å²	69	89 Å²	89	71%	0.711	46%	0.464	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.7	-1.2	166.5	0	0	0	0	0	115.3	Q347	Q347-G349 PolarHBondContact O-N 2.9Å
350	H	44.5	Very low	56.7	Low	128 Å²	128	87.2 Å²	87.2	59%	0.593	46%	0.459	S	S	*	.			trans	-120.2	57.4	-172.4	-155.2	-100.9	0	0	0	110.6	Q347 P352 S355	Q347-H350 WeakPolarHBondContact O-CA 3.43Å; Q347-H350 WeakPolarHBondContact O-CB 3.41Å; Q347-H350 PolarHBondContact O-N 3.29Å; H350-P352 WeakPolarHBondContact O-CD 3.33Å; H350-S355 PolarHBondContact CE1-OG 3.38Å; H350-S355 PolarHBondContact ND1-OG 3.47Å; H350-S355 PolarHBondContact NE2-OG 2.96Å; H350-S355 VanDerWaalsContact NE2-OG 3.11Å
351	D	54.8	Low	56.8	Low	72 Å²	72	91.2 Å²	91.2	39%	0.385	48%	0.48	S	S	.	.			trans	-57.6	123.4	167.8	175.6	-9.5	0	0	0	108.4	L353 M354 S355	D351-L353 PolarHBondContact O-N 3.29Å; D351-L353 VanDerWaalsContact O-N 3.08Å; D351-L353 WeakPolarHBondContact OD1-CA 3.48Å; D351-L353 WeakPolarHBondContact OD1-CB 3.2Å; D351-L353 PolarHBondContact OD1-N 3.11Å; D351-M354 HydrophobicContact CB-CB 4.06Å; D351-M354 HydrophobicContact CB-CG 4.44Å; D351-M354 CarbonylContact O-C 3.6Å; D351-M354 WeakPolarHBondContact O-CA 3.4Å; D351-M354 WeakPolarHBondContact O-CB 3.22Å; D351-M354 PolarHBondContact O-N 3.08Å; D351-S355 PolarHBondContact O-N 3.36Å; D351-S355 PolarHBondContact O-OG 3.13Å
352	P	51.9	Low	56.3	Low	106 Å²	106	97.5 Å²	97.5	69%	0.688	50%	0.501	S	S	*	.	H	α-helix	trans	-53	-28.7	177	-26.6	34.4	0	0	0	113.3	H350 A356	H350-P352 WeakPolarHBondContact O-CD 3.33Å; P352-A356 WeakPolarHBondContact O-CB 3.37Å; P352-A356 PolarHBondContact O-N 2.98Å
353	L	52.6	Low	56.6	Low	68 Å²	68	97.1 Å²	97.1	36%	0.356	50%	0.502	S	S	.	.	H	α-helix	trans	-65.8	-45	170.5	-174.5	62.2	0	0	0	111	D351 A356 L357 Y372	D351-L353 PolarHBondContact O-N 3.29Å; D351-L353 VanDerWaalsContact O-N 3.08Å; D351-L353 WeakPolarHBondContact OD1-CA 3.48Å; D351-L353 WeakPolarHBondContact OD1-CB 3.2Å; D351-L353 PolarHBondContact OD1-N 3.11Å; L353-A356 PolarHBondContact O-N 2.9Å; L353-L357 WeakPolarHBondContact O-CG 3.43Å; L353-L357 PolarHBondContact O-N 2.78Å; L353-Y372 HydrophobicContact CD2-CD2 4.24Å; L353-Y372 HydrophobicContact CD2-CE2 4.17Å
354	M	55.5	Low	56.8	Low	91 Å²	91	98.1 Å²	98.1	45%	0.448	51%	0.505	S	S	.	.	H	α-helix	trans	-64.6	-41	174.5	-95.6	41	158.1	0	0	112.3	D351 A356 L357 D358	D351-M354 HydrophobicContact CB-CB 4.06Å; D351-M354 HydrophobicContact CB-CG 4.44Å; D351-M354 CarbonylContact O-C 3.6Å; D351-M354 WeakPolarHBondContact O-CA 3.4Å; D351-M354 WeakPolarHBondContact O-CB 3.22Å; D351-M354 PolarHBondContact O-N 3.08Å; M354-A356 VanDerWaalsContact C-N 3.29Å; M354-A356 PolarHBondContact O-N 3.01Å; M354-L357 WeakPolarHBondContact O-CB 3.23Å; M354-L357 PolarHBondContact O-N 2.97Å; M354-L357 VanDerWaalsContact O-N 3.13Å; M354-L357 HydrophobicContact SD-CD1 3.85Å; M354-D358 PolarHBondContact O-N 3.39Å
355	S	60.3	Low	57.1	Low	27 Å²	27	98.4 Å²	98.4	19%	0.189	51%	0.507	C	S	.	.	H	α-helix	trans	-64.8	-33.6	174.8	-50.1	0	0	0	0	112.3	H350 D351 N359	H350-S355 PolarHBondContact CE1-OG 3.38Å; H350-S355 PolarHBondContact ND1-OG 3.47Å; H350-S355 PolarHBondContact NE2-OG 2.96Å; H350-S355 VanDerWaalsContact NE2-OG 3.11Å; D351-S355 PolarHBondContact O-N 3.36Å; D351-S355 PolarHBondContact O-OG 3.13Å; S355-N359 PolarHBondContact O-ND2 2.93Å
356	A	57.8	Low	57.3	Low	56 Å²	56	96 Å²	96	46%	0.463	50%	0.498	S	S	.	.	H	α-helix	trans	-71.1	-35.9	171.9	0	0	0	0	0	112.1	P352 L353 M354 N359	P352-A356 WeakPolarHBondContact O-CB 3.37Å; P352-A356 PolarHBondContact O-N 2.98Å; L353-A356 PolarHBondContact O-N 2.9Å; M354-A356 VanDerWaalsContact C-N 3.29Å; M354-A356 PolarHBondContact O-N 3.01Å; A356-N359 PolarHBondContact O-N 2.95Å
357	L	57	Low	58.3	Low	11 Å²	11	91.9 Å²	91.9	6%	0.058	49%	0.488	C	S	.	.	H	α-helix	trans	-66.7	-34.1	175.6	-71.9	174.3	0	0	0	112.3	L353 M354 N359 L360 Q365 I368 I369	L353-L357 WeakPolarHBondContact O-CG 3.43Å; L353-L357 PolarHBondContact O-N 2.78Å; M354-L357 WeakPolarHBondContact O-CB 3.23Å; M354-L357 PolarHBondContact O-N 2.97Å; M354-L357 VanDerWaalsContact O-N 3.13Å; M354-L357 HydrophobicContact SD-CD1 3.85Å; L357-N359 PolarHBondContact O-N 3.45Å; L357-N359 VanDerWaalsContact O-N 3.1Å; L357-L360 HydrophobicContact CD2-CD1 4.05Å; L357-L360 WeakPolarHBondContact O-CB 3.43Å; L357-L360 PolarHBondContact O-N 3.2Å; L357-Q365 HydrophobicContact CB-CG 4.27Å; L357-Q365 WeakPolarHBondContact O-CG 3.27Å; L357-Q365 PolarHBondContact O-NE2 3.23Å; L357-I368 HydrophobicContact CD2-CB 3.83Å; L357-I368 HydrophobicContact CD2-CD1 3.82Å; L357-I368 HydrophobicContact CD2-CG1 4.45Å; L357-I368 HydrophobicContact CD2-CG2 3.68Å; L357-I369 HydrophobicContact CD1-CD1 4.27Å; L357-I369 HydrophobicContact CD1-CG1 3.85Å
358	D	61.1	Low	59.1	Low	121 Å²	121	89.7 Å²	89.7	65%	0.647	48%	0.479	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.5	-22.8	178.4	-77.7	-21.3	0	0	0	113.8	M354 L360	M354-D358 PolarHBondContact O-N 3.39Å; D358-L360 VanDerWaalsContact C-N 3.32Å
359	N	70.4	Confident	60.1	Low	143 Å²	143	85.5 Å²	85.5	77%	0.765	46%	0.46	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.2	-5.4	174.8	-66.8	-64.8	0	0	0	113.9	S355 A356 L357	S355-N359 PolarHBondContact O-ND2 2.93Å; A356-N359 PolarHBondContact O-N 2.95Å; L357-N359 PolarHBondContact O-N 3.45Å; L357-N359 VanDerWaalsContact O-N 3.1Å
360	L	65.3	Low	61.1	Low	64 Å²	64	87.5 Å²	87.5	34%	0.335	45%	0.451	S	S	.	.	S	Bend	trans	-101.6	157	179.6	-59.4	176.9	0	0	0	111.1	L357 D358 Q364 Q365 I368	L357-L360 HydrophobicContact CD2-CD1 4.05Å; L357-L360 WeakPolarHBondContact O-CB 3.43Å; L357-L360 PolarHBondContact O-N 3.2Å; D358-L360 VanDerWaalsContact C-N 3.32Å; L360-Q364 HydrophobicContact CB-CB 4.18Å; L360-Q365 HydrophobicContact CB-CG 4.07Å; L360-Q365 PolarHBondContact O-NE2 3.33Å; L360-I368 HydrophobicContact CD1-CD1 3.26Å
361	N	73.8	Confident	62.2	Low	86 Å²	86	82.7 Å²	82.7	46%	0.46	44%	0.436	S	S	.	.			trans	-71.3	155.2	176	74.9	55.2	0	0	0	111.2	V363 Q364 Q365	N361-V363 PolarHBondContact O-N 2.89Å; N361-V363 WeakPolarHBondContact OD1-CB 3.5Å; N361-V363 PolarHBondContact OD1-N 3.24Å; N361-V363 VanDerWaalsContact OD1-N 3.11Å; N361-Q364 PolarHBondContact ND2-OE1 3.13Å; N361-Q364 WeakPolarHBondContact O-CB 3.48Å; N361-Q364 PolarHBondContact O-N 3.44Å; N361-Q364 WeakPolarHBondContact OD1-CG 3.5Å; N361-Q364 PolarHBondContact OD1-N 3.48Å; N361-Q365 WeakPolarHBondContact O-CG 3.14Å; N361-Q365 PolarHBondContact O-N 3.39Å
362	R	58.1	Low	62.8	Low	200 Å²	200	84.1 Å²	84.1	76%	0.755	44%	0.437	S	S	*	.	H	α-helix	trans	-56.9	-26.6	-173.6	-172.8	164.6	179.3	166.6	0.7	114.7	L366	R362-L366 HydrophobicContact CG-CD1 4.4Å; R362-L366 WeakPolarHBondContact O-CD1 3.3Å; R362-L366 VanDerWaalsContact O-CG 3.25Å; R362-L366 WeakPolarHBondContact O-CG 3.37Å; R362-L366 PolarHBondContact O-N 2.94Å
363	V	71.6	Confident	63.5	Low	91 Å²	91	82.6 Å²	82.6	55%	0.552	42%	0.423	S	S	*	.	H	α-helix	trans	-74.9	-46.4	176.5	179.9	0	0	0	0	110.1	N361 Q365 L366 E367	N361-V363 PolarHBondContact O-N 2.89Å; N361-V363 WeakPolarHBondContact OD1-CB 3.5Å; N361-V363 PolarHBondContact OD1-N 3.24Å; N361-V363 VanDerWaalsContact OD1-N 3.11Å; V363-Q365 VanDerWaalsContact C-N 3.33Å; V363-Q365 PolarHBondContact O-N 2.82Å; V363-L366 PolarHBondContact O-N 2.93Å; V363-E367 WeakPolarHBondContact O-CG 3.18Å; V363-E367 PolarHBondContact O-N 3.33Å
364	Q	65.1	Low	64.5	Low	83 Å²	83	84.2 Å²	84.2	39%	0.388	43%	0.432	S	S	.	.	H	α-helix	trans	-62.6	-39.2	174.9	-69	174	-40.4	0	0	112.1	L360 N361 E367 I368	L360-Q364 HydrophobicContact CB-CB 4.18Å; N361-Q364 PolarHBondContact ND2-OE1 3.13Å; N361-Q364 WeakPolarHBondContact O-CB 3.48Å; N361-Q364 PolarHBondContact O-N 3.44Å; N361-Q364 WeakPolarHBondContact OD1-CG 3.5Å; N361-Q364 PolarHBondContact OD1-N 3.48Å; Q364-E367 PolarHBondContact O-N 3.36Å; Q364-I368 WeakPolarHBondContact O-CB 3.49Å; Q364-I368 WeakPolarHBondContact O-CD1 3.42Å; Q364-I368 VanDerWaalsContact O-CG1 3.24Å; Q364-I368 WeakPolarHBondContact O-CG1 3.45Å; Q364-I368 PolarHBondContact O-N 3.28Å
365	Q	59.6	Low	65.6	Low	42 Å²	42	82.4 Å²	82.4	20%	0.196	42%	0.423	C	S	.	.	H	α-helix	trans	-58.1	-49.5	173.6	-70.7	178.1	-1.9	0	0	111.3	L357 L360 N361 V363 E367 I368 I369	L357-Q365 HydrophobicContact CB-CG 4.27Å; L357-Q365 WeakPolarHBondContact O-CG 3.27Å; L357-Q365 PolarHBondContact O-NE2 3.23Å; L360-Q365 HydrophobicContact CB-CG 4.07Å; L360-Q365 PolarHBondContact O-NE2 3.33Å; N361-Q365 WeakPolarHBondContact O-CG 3.14Å; N361-Q365 PolarHBondContact O-N 3.39Å; V363-Q365 VanDerWaalsContact C-N 3.33Å; V363-Q365 PolarHBondContact O-N 2.82Å; Q365-E367 PolarHBondContact O-N 2.86Å; Q365-I368 PolarHBondContact O-N 2.79Å; Q365-I369 WeakPolarHBondContact O-CB 3.47Å; Q365-I369 WeakPolarHBondContact O-CD1 3.46Å; Q365-I369 WeakPolarHBondContact O-CG1 3.45Å; Q365-I369 PolarHBondContact O-N 3.08Å
366	L	56.3	Low	66	Low	84 Å²	84	86.6 Å²	86.6	44%	0.44	44%	0.438	S	S	.	.	H	α-helix	trans	-64.5	-38.7	179.2	-72.9	170.1	0	0	0	112.3	R362 V363 H370	R362-L366 HydrophobicContact CG-CD1 4.4Å; R362-L366 WeakPolarHBondContact O-CD1 3.3Å; R362-L366 VanDerWaalsContact O-CG 3.25Å; R362-L366 WeakPolarHBondContact O-CG 3.37Å; R362-L366 PolarHBondContact O-N 2.94Å; V363-L366 PolarHBondContact O-N 2.93Å; L366-H370 WeakPolarHBondContact O-CB 3.29Å; L366-H370 PolarHBondContact O-N 3.27Å; L366-H370 PolarHBondContact O-ND1 3.02Å
367	E	69.6	Low	66.6	Low	127 Å²	127	87.6 Å²	87.6	59%	0.593	44%	0.439	S	S	*	.	H	α-helix	trans	-65	-41.8	176.2	-74.4	174	179.3	0	0	112.3	V363 Q364 Q365 G371	V363-E367 WeakPolarHBondContact O-CG 3.18Å; V363-E367 PolarHBondContact O-N 3.33Å; Q364-E367 PolarHBondContact O-N 3.36Å; Q365-E367 PolarHBondContact O-N 2.86Å; E367-G371 PolarHBondContact O-N 3.01Å
368	I	66.3	Low	67.8	Low	71 Å²	71	89.8 Å²	89.8	36%	0.364	45%	0.448	S	S	.	.	H	α-helix	trans	-70.1	-43.5	177.3	-65.4	163.7	0	0	0	110.7	L357 L360 Q364 Q365 H370 G371 Y372	L357-I368 HydrophobicContact CD2-CB 3.83Å; L357-I368 HydrophobicContact CD2-CD1 3.82Å; L357-I368 HydrophobicContact CD2-CG1 4.45Å; L357-I368 HydrophobicContact CD2-CG2 3.68Å; L360-I368 HydrophobicContact CD1-CD1 3.26Å; Q364-I368 WeakPolarHBondContact O-CB 3.49Å; Q364-I368 WeakPolarHBondContact O-CD1 3.42Å; Q364-I368 VanDerWaalsContact O-CG1 3.24Å; Q364-I368 WeakPolarHBondContact O-CG1 3.45Å; Q364-I368 PolarHBondContact O-N 3.28Å; Q365-I368 PolarHBondContact O-N 2.79Å; I368-H370 PolarHBondContact O-N 3.49Å; I368-G371 PolarHBondContact O-N 3.09Å; I368-Y372 VanDerWaalsContact O-CB 3.28Å; I368-Y372 WeakPolarHBondContact O-CB 3.48Å; I368-Y372 PolarHBondContact O-N 3.02Å
369	I	65.8	Low	68.7	Low	55 Å²	55	85.6 Å²	85.6	28%	0.282	43%	0.426	S	S	.	.	H	α-helix	trans	-60.8	-45.7	177.3	-70.6	165.4	0	0	0	110.5	L357 Q365 Y372 N373	L357-I369 HydrophobicContact CD1-CD1 4.27Å; L357-I369 HydrophobicContact CD1-CG1 3.85Å; Q365-I369 WeakPolarHBondContact O-CB 3.47Å; Q365-I369 WeakPolarHBondContact O-CD1 3.46Å; Q365-I369 WeakPolarHBondContact O-CG1 3.45Å; Q365-I369 PolarHBondContact O-N 3.08Å; I369-Y372 PolarHBondContact O-N 3.4Å; I369-N373 WeakPolarHBondContact O-CB 3.4Å; I369-N373 PolarHBondContact O-N 3.3Å; I369-N373 PolarHBondContact O-ND2 2.83Å; I369-N373 VanDerWaalsContact O-ND2 3.11Å
370	H	64.8	Low	68.8	Low	111 Å²	111	84.9 Å²	84.9	51%	0.514	42%	0.416	S	S	.	.	H	α-helix	trans	-65.1	-45	175.6	-68.1	165.1	0	0	0	111.4	L366 I368 Y372 N373 D374	L366-H370 WeakPolarHBondContact O-CB 3.29Å; L366-H370 PolarHBondContact O-N 3.27Å; L366-H370 PolarHBondContact O-ND1 3.02Å; I368-H370 PolarHBondContact O-N 3.49Å; H370-Y372 VanDerWaalsContact C-N 3.3Å; H370-Y372 PolarHBondContact O-N 3.42Å; H370-N373 PolarHBondContact O-N 2.72Å; H370-D374 WeakPolarHBondContact O-CB 3.4Å; H370-D374 VanDerWaalsContact O-CG 3.27Å; H370-D374 PolarHBondContact O-N 3.36Å
371	G	69.6	Low	69.4	Low	28 Å²	28	86 Å²	86	29%	0.289	42%	0.422	S	S	.	.	H	α-helix	trans	-63.3	-33.5	178.1	0	0	0	0	0	113.9	E367 I368 M375	E367-G371 PolarHBondContact O-N 3.01Å; I368-G371 PolarHBondContact O-N 3.09Å; G371-M375 VanDerWaalsContact O-CB 3.26Å; G371-M375 WeakPolarHBondContact O-CB 3.46Å; G371-M375 PolarHBondContact O-N 3.32Å; G371-M375 VanDerWaalsContact O-N 3.08Å
372	Y	67.2	Low	69.8	Low	101 Å²	101	84 Å²	84	40%	0.396	41%	0.409	S	S	.	.	H	α-helix	trans	-70.4	-47.1	173.5	178	-91.1	0	0	0	111.3	L353 I368 I369 H370 D374 M375 K376	L353-Y372 HydrophobicContact CD2-CD2 4.24Å; L353-Y372 HydrophobicContact CD2-CE2 4.17Å; I368-Y372 VanDerWaalsContact O-CB 3.28Å; I368-Y372 WeakPolarHBondContact O-CB 3.48Å; I368-Y372 PolarHBondContact O-N 3.02Å; I369-Y372 PolarHBondContact O-N 3.4Å; H370-Y372 VanDerWaalsContact C-N 3.3Å; H370-Y372 PolarHBondContact O-N 3.42Å; Y372-D374 VanDerWaalsContact C-N 3.35Å; Y372-D374 PolarHBondContact O-N 2.87Å; Y372-M375 HydrophobicContact CD2-CE 4.22Å; Y372-M375 HydrophobicContact CE2-CE 4.48Å; Y372-M375 PolarHBondContact O-N 2.8Å; Y372-K376 HydrophobicContact CE1-CD 3.97Å; Y372-K376 VanDerWaalsContact O-CB 3.24Å; Y372-K376 WeakPolarHBondContact O-CB 3.49Å; Y372-K376 PolarHBondContact O-N 3.41Å
373	N	65.3	Low	70.8	Confident	75 Å²	75	76.2 Å²	76.2	40%	0.401	38%	0.383	S	S	.	.	H	α-helix	trans	-64.6	-38.4	178.7	-76.3	-36.3	0	0	0	112.4	I369 H370 K376 T377	I369-N373 WeakPolarHBondContact O-CB 3.4Å; I369-N373 PolarHBondContact O-N 3.3Å; I369-N373 PolarHBondContact O-ND2 2.83Å; I369-N373 VanDerWaalsContact O-ND2 3.11Å; H370-N373 PolarHBondContact O-N 2.72Å; N373-K376 PolarHBondContact O-N 3.49Å; N373-T377 WeakPolarHBondContact O-CB 3.13Å; N373-T377 PolarHBondContact O-N 3.32Å; N373-T377 PolarHBondContact O-OG1 3.17Å
374	D	74.1	Confident	71.1	Confident	102 Å²	102	76.8 Å²	76.8	55%	0.545	38%	0.38	S	S	.	.	H	α-helix	trans	-64.9	-47.6	174.4	-73.1	-9.9	0	0	0	110.7	H370 Y372 K376 T377 E378	H370-D374 WeakPolarHBondContact O-CB 3.4Å; H370-D374 VanDerWaalsContact O-CG 3.27Å; H370-D374 PolarHBondContact O-N 3.36Å; Y372-D374 VanDerWaalsContact C-N 3.35Å; Y372-D374 PolarHBondContact O-N 2.87Å; D374-K376 VanDerWaalsContact C-N 3.33Å; D374-K376 PolarHBondContact O-N 2.62Å; D374-T377 PolarHBondContact O-N 2.93Å; D374-E378 WeakPolarHBondContact O-CB 3.36Å; D374-E378 WeakPolarHBondContact O-CG 3.47Å; D374-E378 PolarHBondContact O-N 2.83Å
375	M	77.9	Confident	71.7	Confident	53 Å²	53	76 Å²	76	26%	0.261	38%	0.381	S	S	.	.	H	α-helix	trans	-60.4	-42.9	176.3	-176.9	-173.5	75.4	0	0	112	G371 Y372 E378 L379 F402	G371-M375 VanDerWaalsContact O-CB 3.26Å; G371-M375 WeakPolarHBondContact O-CB 3.46Å; G371-M375 PolarHBondContact O-N 3.32Å; G371-M375 VanDerWaalsContact O-N 3.08Å; Y372-M375 HydrophobicContact CD2-CE 4.22Å; Y372-M375 HydrophobicContact CE2-CE 4.48Å; Y372-M375 PolarHBondContact O-N 2.8Å; M375-E378 PolarHBondContact O-N 3.43Å; M375-L379 VanDerWaalsContact O-CB 3.26Å; M375-L379 WeakPolarHBondContact O-CB 3.48Å; M375-L379 PolarHBondContact O-N 3.41Å; M375-F402 HydrophobicContact SD-CE1 4.2Å
376	K	69.8	Low	72.6	Confident	115 Å²	115	75.4 Å²	75.4	50%	0.5	38%	0.377	S	S	.	.	H	α-helix	trans	-62.7	-43.4	178.2	-178.2	173.7	-178	169.2	0	111.2	Y372 N373 D374 K380	Y372-K376 HydrophobicContact CE1-CD 3.97Å; Y372-K376 VanDerWaalsContact O-CB 3.24Å; Y372-K376 WeakPolarHBondContact O-CB 3.49Å; Y372-K376 PolarHBondContact O-N 3.41Å; N373-K376 PolarHBondContact O-N 3.49Å; D374-K376 VanDerWaalsContact C-N 3.33Å; D374-K376 PolarHBondContact O-N 2.62Å; K376-K380 VanDerWaalsContact O-CB 3.25Å; K376-K380 WeakPolarHBondContact O-CB 3.03Å; K376-K380 PolarHBondContact O-N 2.95Å
377	T	70.6	Confident	73.3	Confident	77 Å²	77	75.3 Å²	75.3	47%	0.472	39%	0.389	S	S	.	.	H	α-helix	trans	-65.7	-47.4	178	-54.9	0	0	0	0	110.8	N373 D374 L379 K380 D381	N373-T377 WeakPolarHBondContact O-CB 3.13Å; N373-T377 PolarHBondContact O-N 3.32Å; N373-T377 PolarHBondContact O-OG1 3.17Å; D374-T377 PolarHBondContact O-N 2.93Å; T377-L379 PolarHBondContact O-N 3.18Å; T377-K380 PolarHBondContact O-N 2.87Å; T377-D381 VanDerWaalsContact O-CG 3.32Å; T377-D381 PolarHBondContact O-N 3.1Å
378	E	81	Confident	73.4	Confident	56 Å²	56	73.6 Å²	73.6	26%	0.262	40%	0.396	S	S	.	.	H	α-helix	trans	-66.1	-36.1	179.6	-69.8	-177.4	153.7	0	0	113	D374 M375 F382 F401 Q405 K408	D374-E378 WeakPolarHBondContact O-CB 3.36Å; D374-E378 WeakPolarHBondContact O-CG 3.47Å; D374-E378 PolarHBondContact O-N 2.83Å; M375-E378 PolarHBondContact O-N 3.43Å; E378-F382 VanDerWaalsContact O-CB 3.32Å; E378-F382 WeakPolarHBondContact O-CB 3.47Å; E378-F382 PolarHBondContact O-N 3Å; E378-F401 HydrophobicContact CB-CE2 4.43Å; E378-F401 HydrophobicContact CB-CZ 4.28Å; E378-Q405 PolarHBondContact OE2-NE2 3.11Å; E378-Q405 PolarHBondContact OE2-OE1 3.39Å; E378-K408 IonicContact OE1-NZ 3.46Å; E378-K408 PolarHBondContact OE1-NZ 3.18Å
379	L	79.6	Confident	73.9	Confident	33 Å²	33	75.8 Å²	75.8	17%	0.173	41%	0.405	C	S	.	.	H	α-helix	trans	-68.1	-41.5	174.4	-179.8	61.5	0	0	0	111	M375 T377 F382 L383 F401	M375-L379 VanDerWaalsContact O-CB 3.26Å; M375-L379 WeakPolarHBondContact O-CB 3.48Å; M375-L379 PolarHBondContact O-N 3.41Å; T377-L379 PolarHBondContact O-N 3.18Å; L379-F382 PolarHBondContact O-N 3.01Å; L379-L383 HydrophobicContact CD1-CD1 4.11Å; L379-L383 HydrophobicContact CD1-CG 4.21Å; L379-L383 HydrophobicContact CG-CD1 4.06Å; L379-L383 VanDerWaalsContact O-CG 3.28Å; L379-L383 WeakPolarHBondContact O-CG 3.25Å; L379-L383 PolarHBondContact O-N 2.93Å; L379-F401 VanDerWaalsContact CA-CZ 3.44Å; L379-F401 HydrophobicContact CB-CE1 3.88Å; L379-F401 HydrophobicContact CB-CE2 4.4Å; L379-F401 HydrophobicContact CB-CZ 3.66Å; L379-F401 HydrophobicContact CD1-CD1 3.7Å; L379-F401 HydrophobicContact CD1-CD2 4.45Å; L379-F401 HydrophobicContact CD1-CE1 3.63Å; L379-F401 HydrophobicContact CD1-CE2 4.39Å; L379-F401 HydrophobicContact CD1-CG 4.13Å; L379-F401 HydrophobicContact CD1-CZ 4Å; L379-F401 HydrophobicContact CG-CE1 4.27Å; L379-F401 HydrophobicContact CG-CZ 4.43Å
380	K	73.4	Confident	74	Confident	129 Å²	129	76.6 Å²	76.6	56%	0.561	43%	0.426	S	S	*	.	H	α-helix	trans	-62.5	-45.4	176.1	-173.6	177.8	-178.8	177.3	0	111.5	K376 T377 F382 L383 Q384	K376-K380 VanDerWaalsContact O-CB 3.25Å; K376-K380 WeakPolarHBondContact O-CB 3.03Å; K376-K380 PolarHBondContact O-N 2.95Å; T377-K380 PolarHBondContact O-N 2.87Å; K380-F382 VanDerWaalsContact C-N 3.34Å; K380-F382 PolarHBondContact O-N 3.11Å; K380-L383 PolarHBondContact O-N 2.84Å; K380-Q384 WeakPolarHBondContact O-CB 3.29Å; K380-Q384 VanDerWaalsContact O-CG 3.3Å; K380-Q384 WeakPolarHBondContact O-CG 3.31Å; K380-Q384 PolarHBondContact O-N 2.91Å
381	D	78.4	Confident	74.4	Confident	87 Å²	87	77.2 Å²	77.2	47%	0.465	43%	0.427	S	S	.	.	H	α-helix	trans	-63	-41.9	177	-70.9	-10.4	0	0	0	111.1	T377 Q384 T385	T377-D381 VanDerWaalsContact O-CG 3.32Å; T377-D381 PolarHBondContact O-N 3.1Å; D381-Q384 PolarHBondContact O-N 2.76Å; D381-T385 PolarHBondContact O-N 3.44Å
382	F	82.8	Confident	74.6	Confident	43 Å²	43	80.2 Å²	80.2	19%	0.189	44%	0.44	C	S	.	.	H	α-helix	trans	-58.4	-52.5	174.6	176.7	-104.2	0	0	0	111.1	E378 L379 K380 Q384 T385 F386 D397 F401	E378-F382 VanDerWaalsContact O-CB 3.32Å; E378-F382 WeakPolarHBondContact O-CB 3.47Å; E378-F382 PolarHBondContact O-N 3Å; L379-F382 PolarHBondContact O-N 3.01Å; K380-F382 VanDerWaalsContact C-N 3.34Å; K380-F382 PolarHBondContact O-N 3.11Å; F382-Q384 VanDerWaalsContact C-N 3.33Å; F382-Q384 PolarHBondContact O-N 3.04Å; F382-T385 PolarHBondContact O-N 3.42Å; F382-T385 PolarHBondContact O-OG1 3.42Å; F382-F386 HydrophobicContact CD1-CE2 4.14Å; F382-F386 HydrophobicContact CD2-CE2 4.21Å; F382-F386 HydrophobicContact CE1-CD2 4.45Å; F382-F386 AromaticContact CE1-CE2 3.64Å; F382-F386 HydrophobicContact CE1-CE2 3.64Å; F382-F386 HydrophobicContact CE1-CZ 4.19Å; F382-F386 AromaticContact CE2-CE2 3.73Å; F382-F386 HydrophobicContact CE2-CE2 3.73Å; F382-F386 HydrophobicContact CE2-CZ 4.25Å; F382-F386 HydrophobicContact CG-CE2 4.41Å; F382-F386 AromaticContact CZ-CE2 3.43Å; F382-F386 HydrophobicContact CZ-CE2 3.43Å; F382-F386 VanDerWaalsContact CZ-CE2 3.43Å; F382-F386 AromaticContact CZ-CZ 3.75Å; F382-F386 HydrophobicContact CZ-CZ 3.75Å; F382-F386 WeakPolarHBondContact O-CD2 3.48Å; F382-D397 HydrophobicContact CZ-CB 4.44Å; F382-F401 HydrophobicContact CB-CD2 3.75Å; F382-F401 HydrophobicContact CB-CE2 3.84Å; F382-F401 HydrophobicContact CD1-CB 4.08Å; F382-F401 AromaticContact CD1-CD2 3.8Å; F382-F401 HydrophobicContact CD1-CD2 3.8Å; F382-F401 HydrophobicContact CD1-CG 4.13Å; F382-F401 AromaticContact CD2-CD2 3.99Å; F382-F401 HydrophobicContact CD2-CD2 3.99Å; F382-F401 HydrophobicContact CE1-CB 3.84Å; F382-F401 HydrophobicContact CE1-CD2 4.37Å; F382-F401 HydrophobicContact CE1-CG 4.39Å; F382-F401 AromaticContact CG-CD2 3.57Å; F382-F401 HydrophobicContact CG-CD2 3.57Å; F382-F401 HydrophobicContact CG-CE2 4.2Å; F382-F401 HydrophobicContact CG-CG 4.35Å; F382-F401 HydrophobicContact CZ-CB 4.06Å
383	L	79	Confident	75.1	Confident	37 Å²	37	78.2 Å²	78.2	19%	0.194	44%	0.438	C	S	.	.	H	α-helix	trans	-66.9	-31.3	-179.2	-65.1	174	0	0	0	113	L13 L379 K380 T385 F386 A387 V393 I398	L13-L383 HydrophobicContact CD2-CD1 3.89Å; L379-L383 HydrophobicContact CD1-CD1 4.11Å; L379-L383 HydrophobicContact CD1-CG 4.21Å; L379-L383 HydrophobicContact CG-CD1 4.06Å; L379-L383 VanDerWaalsContact O-CG 3.28Å; L379-L383 WeakPolarHBondContact O-CG 3.25Å; L379-L383 PolarHBondContact O-N 2.93Å; K380-L383 PolarHBondContact O-N 2.84Å; L383-T385 PolarHBondContact O-N 3.3Å; L383-F386 WeakPolarHBondContact O-CB 3.26Å; L383-F386 PolarHBondContact O-N 2.72Å; L383-F386 VanDerWaalsContact O-N 3.12Å; L383-A387 PolarHBondContact O-N 3.04Å; L383-A387 VanDerWaalsContact O-N 3.13Å; L383-V393 HydrophobicContact CD2-CG1 3.99Å; L383-V393 HydrophobicContact CD2-CG2 3.97Å; L383-I398 HydrophobicContact CD2-CD1 3.99Å
384	Q	76.1	Confident	75.9	Confident	104 Å²	104	78 Å²	78	49%	0.486	44%	0.439	S	S	.	.	H	α-helix	trans	-61.9	-29.9	174.2	-82.7	179.9	-4.6	0	0	112.8	K380 D381 F382 F386 A387 A388	K380-Q384 WeakPolarHBondContact O-CB 3.29Å; K380-Q384 VanDerWaalsContact O-CG 3.3Å; K380-Q384 WeakPolarHBondContact O-CG 3.31Å; K380-Q384 PolarHBondContact O-N 2.91Å; D381-Q384 PolarHBondContact O-N 2.76Å; F382-Q384 VanDerWaalsContact C-N 3.33Å; F382-Q384 PolarHBondContact O-N 3.04Å; Q384-F386 VanDerWaalsContact C-N 3.33Å; Q384-F386 PolarHBondContact O-N 3.38Å; Q384-A387 PolarHBondContact O-N 2.81Å; Q384-A388 WeakPolarHBondContact O-CB 3.32Å; Q384-A388 PolarHBondContact O-N 2.77Å
385	T	78.4	Confident	75.8	Confident	67 Å²	67	76.5 Å²	76.5	41%	0.411	44%	0.437	S	S	.	.	H	α-helix	trans	-65.1	-36.9	174.2	66.4	0	0	0	0	112.2	D381 F382 L383 A388 E389	D381-T385 PolarHBondContact O-N 3.44Å; F382-T385 PolarHBondContact O-N 3.42Å; F382-T385 PolarHBondContact O-OG1 3.42Å; L383-T385 PolarHBondContact O-N 3.3Å; T385-A388 PolarHBondContact O-N 3.37Å; T385-E389 WeakPolarHBondContact O-CB 3.41Å; T385-E389 VanDerWaalsContact O-CG 3.25Å; T385-E389 WeakPolarHBondContact O-CG 3.05Å; T385-E389 PolarHBondContact O-N 2.92Å
386	F	79.8	Confident	75.7	Confident	29 Å²	29	78.6 Å²	78.6	13%	0.127	45%	0.45	C	S	.	.	H	α-helix	trans	-69.8	-40	176	-69.8	-101.2	0	0	0	111.5	F382 L383 Q384 E389 G390 K391 V393 D397	F382-F386 HydrophobicContact CD1-CE2 4.14Å; F382-F386 HydrophobicContact CD2-CE2 4.21Å; F382-F386 HydrophobicContact CE1-CD2 4.45Å; F382-F386 AromaticContact CE1-CE2 3.64Å; F382-F386 HydrophobicContact CE1-CE2 3.64Å; F382-F386 HydrophobicContact CE1-CZ 4.19Å; F382-F386 AromaticContact CE2-CE2 3.73Å; F382-F386 HydrophobicContact CE2-CE2 3.73Å; F382-F386 HydrophobicContact CE2-CZ 4.25Å; F382-F386 HydrophobicContact CG-CE2 4.41Å; F382-F386 AromaticContact CZ-CE2 3.43Å; F382-F386 HydrophobicContact CZ-CE2 3.43Å; F382-F386 VanDerWaalsContact CZ-CE2 3.43Å; F382-F386 AromaticContact CZ-CZ 3.75Å; F382-F386 HydrophobicContact CZ-CZ 3.75Å; F382-F386 WeakPolarHBondContact O-CD2 3.48Å; L383-F386 WeakPolarHBondContact O-CB 3.26Å; L383-F386 PolarHBondContact O-N 2.72Å; L383-F386 VanDerWaalsContact O-N 3.12Å; Q384-F386 VanDerWaalsContact C-N 3.33Å; Q384-F386 PolarHBondContact O-N 3.38Å; F386-E389 PolarHBondContact O-N 3.32Å; F386-G390 PolarHBondContact O-N 3.07Å; F386-K391 HydrophobicContact CD1-CB 3.94Å; F386-K391 PolarHBondContact O-N 2.95Å; F386-V393 HydrophobicContact CB-CG2 3.76Å; F386-V393 HydrophobicContact CD1-CG2 3.97Å; F386-V393 HydrophobicContact CD2-CG2 4.44Å; F386-V393 HydrophobicContact CG-CG2 3.81Å; F386-D397 HydrophobicContact CE1-CB 4.36Å; F386-D397 HydrophobicContact CZ-CB 4.14Å
387	A	71	Confident	76.2	Confident	82 Å²	82	74.7 Å²	74.7	68%	0.678	43%	0.434	S	S	*	.	H	α-helix	trans	-63.4	-41.8	174.8	0	0	0	0	0	112.3	L383 Q384 G390	L383-A387 PolarHBondContact O-N 3.04Å; L383-A387 VanDerWaalsContact O-N 3.13Å; Q384-A387 PolarHBondContact O-N 2.81Å; A387-G390 PolarHBondContact O-N 3.31Å
388	A	71.5	Confident	76.7	Confident	90 Å²	90	73.7 Å²	73.7	74%	0.744	43%	0.425	S	S	*	.	H	α-helix	trans	-69.7	-31.7	177.4	0	0	0	0	0	113	Q384 T385	Q384-A388 WeakPolarHBondContact O-CB 3.32Å; Q384-A388 PolarHBondContact O-N 2.77Å; T385-A388 PolarHBondContact O-N 3.37Å
389	E	76	Confident	76.6	Confident	118 Å²	118	78.6 Å²	78.6	55%	0.551	44%	0.441	S	S	*	.	H	α-helix	trans	-89.5	-3.5	178.8	-68.2	-179.7	-172.6	0	0	113.6	T385 F386 K391	T385-E389 WeakPolarHBondContact O-CB 3.41Å; T385-E389 VanDerWaalsContact O-CG 3.25Å; T385-E389 WeakPolarHBondContact O-CG 3.05Å; T385-E389 PolarHBondContact O-N 2.92Å; F386-E389 PolarHBondContact O-N 3.32Å; E389-K391 HydrophobicContact CB-CD 4.14Å; E389-K391 HydrophobicContact CB-CG 4.09Å; E389-K391 PolarHBondContact O-N 3.29Å; E389-K391 WeakPolarHBondContact OE2-CD 3.25Å; E389-K391 VanDerWaalsContact OE2-CE 3.23Å; E389-K391 WeakPolarHBondContact OE2-CE 3.36Å; E389-K391 IonicContact OE2-NZ 2.66Å; E389-K391 PolarHBondContact OE2-NZ 2.8Å
390	G	68.9	Low	76.8	Confident	71 Å²	71	81.8 Å²	81.8	73%	0.732	46%	0.455	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.4	27.8	-176.2	0	0	0	0	0	113.4	F386 A387	F386-G390 PolarHBondContact O-N 3.07Å; A387-G390 PolarHBondContact O-N 3.31Å
391	K	72.8	Confident	77.5	Confident	124 Å²	124	75.9 Å²	75.9	54%	0.539	43%	0.43	S	S	.	.	P	Polyproline II helix	trans	-95.9	140.3	-178.1	-73.4	179.4	-177.1	164	0	110.9	F386 E389	F386-K391 HydrophobicContact CD1-CB 3.94Å; F386-K391 PolarHBondContact O-N 2.95Å; E389-K391 HydrophobicContact CB-CD 4.14Å; E389-K391 HydrophobicContact CB-CG 4.09Å; E389-K391 PolarHBondContact O-N 3.29Å; E389-K391 WeakPolarHBondContact OE2-CD 3.25Å; E389-K391 VanDerWaalsContact OE2-CE 3.23Å; E389-K391 WeakPolarHBondContact OE2-CE 3.36Å; E389-K391 IonicContact OE2-NZ 2.66Å; E389-K391 PolarHBondContact OE2-NZ 2.8Å
392	V	72.2	Confident	77.8	Confident	92 Å²	92	76.4 Å²	76.4	56%	0.558	43%	0.428	S	S	*	.	P	Polyproline II helix	trans	-74.9	135.2	174.8	-178.6	0	0	0	0	109.3	T10	T10-V392 HydrophobicContact CG2-CG1 3.83Å
393	V	78.3	Confident	77.9	Confident	59 Å²	59	79 Å²	79	36%	0.358	44%	0.441	S	S	.	.	P	Polyproline II helix	trans	-84.8	126.8	175.8	-179.6	0	0	0	0	108.9	L383 F386 D397 I398	L383-V393 HydrophobicContact CD2-CG1 3.99Å; L383-V393 HydrophobicContact CD2-CG2 3.97Å; F386-V393 HydrophobicContact CB-CG2 3.76Å; F386-V393 HydrophobicContact CD1-CG2 3.97Å; F386-V393 HydrophobicContact CD2-CG2 4.44Å; F386-V393 HydrophobicContact CG-CG2 3.81Å; V393-D397 HydrophobicContact CG1-CB 4.39Å; V393-I398 HydrophobicContact CG1-CD1 3.76Å; V393-I398 HydrophobicContact CG1-CG1 4.05Å
394	T	81.9	Confident	78.1	Confident	69 Å²	69	82.5 Å²	82.5	42%	0.423	46%	0.456	S	S	.	.			trans	-106.4	165.2	177.6	71.2	0	0	0	0	111.8	D396 D397 I398	T394-D396 PolarHBondContact O-N 3.13Å; T394-D397 WeakPolarHBondContact CB-OD2 3.43Å; T394-D397 PolarHBondContact N-OD2 3.27Å; T394-D397 WeakPolarHBondContact O-CB 3.31Å; T394-D397 PolarHBondContact O-N 2.93Å; T394-D397 VanDerWaalsContact O-N 3.1Å; T394-D397 VanDerWaalsContact OG1-CG 3.3Å; T394-D397 PolarHBondContact OG1-N 3.38Å; T394-D397 PolarHBondContact OG1-OD2 3.39Å; T394-I398 PolarHBondContact O-N 3.3Å
395	S	72.4	Confident	78.2	Confident	71 Å²	71	78.7 Å²	78.7	50%	0.497	44%	0.439	S	S	.	.	H	α-helix	trans	-61.7	-27.5	177.3	82.6	0	0	0	0	113.2	R399	S395-R399 VanDerWaalsContact O-CG 3.32Å; S395-R399 WeakPolarHBondContact O-CG 3.22Å; S395-R399 PolarHBondContact O-N 2.82Å
396	D	76.5	Confident	78.1	Confident	98 Å²	98	77.9 Å²	77.9	52%	0.524	44%	0.435	S	S	.	.	H	α-helix	trans	-72.4	-32.9	176.2	-76.9	-67.6	0	0	0	112	T394 R399 Q400	T394-D396 PolarHBondContact O-N 3.13Å; D396-R399 PolarHBondContact O-N 3.01Å; D396-Q400 WeakPolarHBondContact O-CB 3.11Å; D396-Q400 VanDerWaalsContact O-CG 3.28Å; D396-Q400 WeakPolarHBondContact O-CG 3.48Å; D396-Q400 PolarHBondContact O-N 3.29Å
397	D	80.2	Confident	78	Confident	33 Å²	33	83.3 Å²	83.3	18%	0.176	46%	0.455	C	S	.	.	H	α-helix	trans	-66	-40.7	177.3	-60.1	-52.4	0	0	0	111.3	F382 F386 V393 T394 Q400 F401	F382-D397 HydrophobicContact CZ-CB 4.44Å; F386-D397 HydrophobicContact CE1-CB 4.36Å; F386-D397 HydrophobicContact CZ-CB 4.14Å; V393-D397 HydrophobicContact CG1-CB 4.39Å; T394-D397 WeakPolarHBondContact CB-OD2 3.43Å; T394-D397 PolarHBondContact N-OD2 3.27Å; T394-D397 WeakPolarHBondContact O-CB 3.31Å; T394-D397 PolarHBondContact O-N 2.93Å; T394-D397 VanDerWaalsContact O-N 3.1Å; T394-D397 VanDerWaalsContact OG1-CG 3.3Å; T394-D397 PolarHBondContact OG1-N 3.38Å; T394-D397 PolarHBondContact OG1-OD2 3.39Å; D397-Q400 PolarHBondContact O-N 3.24Å; D397-F401 PolarHBondContact O-N 3.39Å
398	I	80.6	Confident	78.2	Confident	56 Å²	56	85 Å²	85	29%	0.287	45%	0.447	S	S	.	.	H	α-helix	trans	-65.9	-43.8	175.2	-58.5	-58.3	0	0	0	110.8	L383 V393 T394 Q400 F401 F402	L383-I398 HydrophobicContact CD2-CD1 3.99Å; V393-I398 HydrophobicContact CG1-CD1 3.76Å; V393-I398 HydrophobicContact CG1-CG1 4.05Å; T394-I398 PolarHBondContact O-N 3.3Å; I398-Q400 VanDerWaalsContact C-N 3.32Å; I398-Q400 PolarHBondContact O-N 3.34Å; I398-F401 WeakPolarHBondContact O-CB 3.41Å; I398-F401 PolarHBondContact O-N 3.27Å; I398-F402 HydrophobicContact CG2-CD2 3.84Å; I398-F402 HydrophobicContact CG2-CE2 3.67Å; I398-F402 VanDerWaalsContact O-CD2 3.24Å; I398-F402 WeakPolarHBondContact O-CD2 3.35Å; I398-F402 PolarHBondContact O-N 3.07Å; I398-F402 VanDerWaalsContact O-N 3.11Å
399	R	80.1	Confident	78	Confident	158 Å²	158	87.2 Å²	87.2	60%	0.596	44%	0.436	S	S	*	.	H	α-helix	trans	-60.3	-43.3	174.9	-70.8	174.5	-147.6	-117.1	5.2	111.3	S395 D396 F401 F402 E403	S395-R399 VanDerWaalsContact O-CG 3.32Å; S395-R399 WeakPolarHBondContact O-CG 3.22Å; S395-R399 PolarHBondContact O-N 2.82Å; D396-R399 PolarHBondContact O-N 3.01Å; R399-F401 PolarHBondContact O-N 3.28Å; R399-F402 PolarHBondContact O-N 3Å; R399-E403 WeakPolarHBondContact O-CB 3.25Å; R399-E403 WeakPolarHBondContact O-CG 3.24Å; R399-E403 PolarHBondContact O-N 2.96Å
400	Q	83.8	Confident	77.5	Confident	100 Å²	100	90.9 Å²	90.9	47%	0.467	45%	0.445	S	S	.	.	H	α-helix	trans	-63.3	-40.8	177.4	-76.6	-179.7	37.2	0	0	112.2	D396 D397 I398 E403 Q404	D396-Q400 WeakPolarHBondContact O-CB 3.11Å; D396-Q400 VanDerWaalsContact O-CG 3.28Å; D396-Q400 WeakPolarHBondContact O-CG 3.48Å; D396-Q400 PolarHBondContact O-N 3.29Å; D397-Q400 PolarHBondContact O-N 3.24Å; I398-Q400 VanDerWaalsContact C-N 3.32Å; I398-Q400 PolarHBondContact O-N 3.34Å; Q400-E403 PolarHBondContact O-N 3.44Å; Q400-Q404 WeakPolarHBondContact O-CB 3.27Å; Q400-Q404 VanDerWaalsContact O-CG 3.23Å; Q400-Q404 WeakPolarHBondContact O-CG 3.26Å; Q400-Q404 PolarHBondContact O-N 3.47Å
401	F	86.9	Confident	77	Confident	6 Å²	6	97.2 Å²	97.2	3%	0.026	45%	0.447	C	S	.	.	H	α-helix	trans	-57.1	-52.6	174.2	172.6	-94.9	0	0	0	111.3	E378 L379 F382 D397 I398 R399 E403 Q404 Q405	E378-F401 HydrophobicContact CB-CE2 4.43Å; E378-F401 HydrophobicContact CB-CZ 4.28Å; L379-F401 VanDerWaalsContact CA-CZ 3.44Å; L379-F401 HydrophobicContact CB-CE1 3.88Å; L379-F401 HydrophobicContact CB-CE2 4.4Å; L379-F401 HydrophobicContact CB-CZ 3.66Å; L379-F401 HydrophobicContact CD1-CD1 3.7Å; L379-F401 HydrophobicContact CD1-CD2 4.45Å; L379-F401 HydrophobicContact CD1-CE1 3.63Å; L379-F401 HydrophobicContact CD1-CE2 4.39Å; L379-F401 HydrophobicContact CD1-CG 4.13Å; L379-F401 HydrophobicContact CD1-CZ 4Å; L379-F401 HydrophobicContact CG-CE1 4.27Å; L379-F401 HydrophobicContact CG-CZ 4.43Å; F382-F401 HydrophobicContact CB-CD2 3.75Å; F382-F401 HydrophobicContact CB-CE2 3.84Å; F382-F401 HydrophobicContact CD1-CB 4.08Å; F382-F401 AromaticContact CD1-CD2 3.8Å; F382-F401 HydrophobicContact CD1-CD2 3.8Å; F382-F401 HydrophobicContact CD1-CG 4.13Å; F382-F401 AromaticContact CD2-CD2 3.99Å; F382-F401 HydrophobicContact CD2-CD2 3.99Å; F382-F401 HydrophobicContact CE1-CB 3.84Å; F382-F401 HydrophobicContact CE1-CD2 4.37Å; F382-F401 HydrophobicContact CE1-CG 4.39Å; F382-F401 AromaticContact CG-CD2 3.57Å; F382-F401 HydrophobicContact CG-CD2 3.57Å; F382-F401 HydrophobicContact CG-CE2 4.2Å; F382-F401 HydrophobicContact CG-CG 4.35Å; F382-F401 HydrophobicContact CZ-CB 4.06Å; D397-F401 PolarHBondContact O-N 3.39Å; I398-F401 WeakPolarHBondContact O-CB 3.41Å; I398-F401 PolarHBondContact O-N 3.27Å; R399-F401 PolarHBondContact O-N 3.28Å; F401-E403 VanDerWaalsContact C-N 3.33Å; F401-E403 PolarHBondContact O-N 3.04Å; F401-Q404 PolarHBondContact O-N 2.95Å; F401-Q405 HydrophobicContact CD1-CG 4.33Å; F401-Q405 HydrophobicContact CD2-CG 4.47Å; F401-Q405 HydrophobicContact CE1-CG 3.88Å; F401-Q405 HydrophobicContact CE2-CG 4.05Å; F401-Q405 HydrophobicContact CZ-CG 3.73Å; F401-Q405 WeakPolarHBondContact O-CG 3.28Å; F401-Q405 PolarHBondContact O-N 2.99Å
402	F	85	Confident	76.4	Confident	97 Å²	97	95.3 Å²	95.3	43%	0.425	45%	0.454	S	S	.	.	H	α-helix	trans	-66.5	-33.9	-179.6	-75.4	-69.7	0	0	0	112.8	M375 I398 R399 Q405 S406	M375-F402 HydrophobicContact SD-CE1 4.2Å; I398-F402 HydrophobicContact CG2-CD2 3.84Å; I398-F402 HydrophobicContact CG2-CE2 3.67Å; I398-F402 VanDerWaalsContact O-CD2 3.24Å; I398-F402 WeakPolarHBondContact O-CD2 3.35Å; I398-F402 PolarHBondContact O-N 3.07Å; I398-F402 VanDerWaalsContact O-N 3.11Å; R399-F402 PolarHBondContact O-N 3Å; F402-Q405 PolarHBondContact O-N 3.29Å; F402-S406 WeakPolarHBondContact O-CB 3.23Å; F402-S406 PolarHBondContact O-N 3.44Å
403	E	84.9	Confident	75.4	Confident	99 Å²	99	98.3 Å²	98.3	46%	0.463	47%	0.467	S	S	.	.	H	α-helix	trans	-63.1	-45.2	171	-81.5	-166.7	-159.8	0	0	112.1	R399 Q400 F401 Q405 S406 R407	R399-E403 WeakPolarHBondContact O-CB 3.25Å; R399-E403 WeakPolarHBondContact O-CG 3.24Å; R399-E403 PolarHBondContact O-N 2.96Å; Q400-E403 PolarHBondContact O-N 3.44Å; F401-E403 VanDerWaalsContact C-N 3.33Å; F401-E403 PolarHBondContact O-N 3.04Å; E403-Q405 VanDerWaalsContact C-N 3.33Å; E403-Q405 PolarHBondContact O-N 2.9Å; E403-S406 PolarHBondContact O-N 3.21Å; E403-S406 PolarHBondContact O-OG 2.78Å; E403-R407 VanDerWaalsContact O-CG 3.28Å; E403-R407 WeakPolarHBondContact O-CG 3.44Å; E403-R407 PolarHBondContact O-N 2.87Å; E403-R407 IonicContact OE2-CZ 3.84Å; E403-R407 IonicContact OE2-NH2 3.1Å; E403-R407 PolarHBondContact OE2-NH2 3.13Å
404	Q	82.4	Confident	74.1	Confident	109 Å²	109	99.6 Å²	99.6	51%	0.509	48%	0.478	S	S	.	.	H	α-helix	trans	-62.4	-41.8	177.3	-72.8	176.1	25.6	0	0	111.3	Q400 F401 R407 K408	Q400-Q404 WeakPolarHBondContact O-CB 3.27Å; Q400-Q404 VanDerWaalsContact O-CG 3.23Å; Q400-Q404 WeakPolarHBondContact O-CG 3.26Å; Q400-Q404 PolarHBondContact O-N 3.47Å; F401-Q404 PolarHBondContact O-N 2.95Å; Q404-R407 PolarHBondContact O-N 2.93Å; Q404-K408 WeakPolarHBondContact O-CB 3.37Å; Q404-K408 PolarHBondContact O-N 3.32Å
405	Q	79.3	Confident	72.1	Confident	25 Å²	25	98.7 Å²	98.7	12%	0.117	48%	0.483	C	S	.	.	H	α-helix	trans	-65	-41.6	176.5	-71.1	-59.1	-12.8	0	0	112.9	E378 F401 F402 E403 R407 K408 R409	E378-Q405 PolarHBondContact OE2-NE2 3.11Å; E378-Q405 PolarHBondContact OE2-OE1 3.39Å; F401-Q405 HydrophobicContact CD1-CG 4.33Å; F401-Q405 HydrophobicContact CD2-CG 4.47Å; F401-Q405 HydrophobicContact CE1-CG 3.88Å; F401-Q405 HydrophobicContact CE2-CG 4.05Å; F401-Q405 HydrophobicContact CZ-CG 3.73Å; F401-Q405 WeakPolarHBondContact O-CG 3.28Å; F401-Q405 PolarHBondContact O-N 2.99Å; F402-Q405 PolarHBondContact O-N 3.29Å; E403-Q405 VanDerWaalsContact C-N 3.33Å; E403-Q405 PolarHBondContact O-N 2.9Å; Q405-R407 VanDerWaalsContact C-N 3.29Å; Q405-R407 PolarHBondContact O-N 3.4Å; Q405-K408 PolarHBondContact O-N 3.45Å; Q405-R409 WeakPolarHBondContact O-CG 3.36Å; Q405-R409 PolarHBondContact O-N 3.27Å
406	S	75.6	Confident	70.8	Confident	49 Å²	49	100.3 Å²	100.3	34%	0.343	49%	0.492	S	S	.	.	H	α-helix	trans	-61.4	-38.4	175	78.7	0	0	0	0	112	F402 E403 R410	F402-S406 WeakPolarHBondContact O-CB 3.23Å; F402-S406 PolarHBondContact O-N 3.44Å; E403-S406 PolarHBondContact O-N 3.21Å; E403-S406 PolarHBondContact O-OG 2.78Å; S406-R410 WeakPolarHBondContact O-CG 3.48Å; S406-R410 PolarHBondContact O-N 3.18Å; S406-R410 VanDerWaalsContact O-N 3.14Å
407	R	78.1	Confident	69	Low	144 Å²	144	105.7 Å²	105.7	54%	0.543	51%	0.511	S	S	.	.	H	α-helix	trans	-70.6	-37.7	177	-69.2	172.4	-170.2	-175.4	9.6	111.8	E403 Q404 Q405 R411	E403-R407 VanDerWaalsContact O-CG 3.28Å; E403-R407 WeakPolarHBondContact O-CG 3.44Å; E403-R407 PolarHBondContact O-N 2.87Å; E403-R407 IonicContact OE2-CZ 3.84Å; E403-R407 IonicContact OE2-NH2 3.1Å; E403-R407 PolarHBondContact OE2-NH2 3.13Å; Q404-R407 PolarHBondContact O-N 2.93Å; Q405-R407 VanDerWaalsContact C-N 3.29Å; Q405-R407 PolarHBondContact O-N 3.4Å; R407-R411 WeakPolarHBondContact O-CG 3.49Å; R407-R411 PolarHBondContact O-N 3.32Å
408	K	75.5	Confident	67.1	Low	117 Å²	117	113.2 Å²	113.2	51%	0.509	54%	0.542	S	S	.	.	H	α-helix	trans	-64.6	-45.8	176.3	-168.5	-179.1	176.7	-171.7	0	111.1	E378 Q404 Q405 R411 A412	E378-K408 IonicContact OE1-NZ 3.46Å; E378-K408 PolarHBondContact OE1-NZ 3.18Å; Q404-K408 WeakPolarHBondContact O-CB 3.37Å; Q404-K408 PolarHBondContact O-N 3.32Å; Q405-K408 PolarHBondContact O-N 3.45Å; K408-R411 PolarHBondContact O-N 3.23Å; K408-A412 PolarHBondContact O-N 2.71Å
409	R	67.8	Low	65	Low	137 Å²	137	119.4 Å²	119.4	52%	0.517	59%	0.59	S	S	.	*	H	α-helix	trans	-63	-43.1	176.7	-70.1	179.7	-175.7	-175.4	0.1	112.7	Q405 R411 A412 D413	Q405-R409 WeakPolarHBondContact O-CG 3.36Å; Q405-R409 PolarHBondContact O-N 3.27Å; R409-R411 VanDerWaalsContact C-N 3.26Å; R409-R411 PolarHBondContact O-N 3.3Å; R409-A412 PolarHBondContact O-N 2.82Å; R409-D413 PolarHBondContact O-N 2.98Å
410	R	64.3	Low	64.3	Low	195 Å²	195	117.5 Å²	117.5	74%	0.736	59%	0.59	S	S	*	*	H	α-helix	trans	-62.1	-28.9	176.2	-74.9	179.4	-177.3	-175.4	3.1	114.1	S406 S414	S406-R410 WeakPolarHBondContact O-CG 3.48Å; S406-R410 PolarHBondContact O-N 3.18Å; S406-R410 VanDerWaalsContact O-N 3.14Å; R410-S414 PolarHBondContact O-OG 3.1Å
411	R	59.3	Low	63.2	Low	204 Å²	204	118.4 Å²	118.4	77%	0.77	60%	0.597	S	S	*	*	H	α-helix	trans	-79.9	-29.1	176.6	-74.2	176.9	177.9	177.9	-0.3	113.1	R407 K408 R409 S414	R407-R411 WeakPolarHBondContact O-CG 3.49Å; R407-R411 PolarHBondContact O-N 3.32Å; K408-R411 PolarHBondContact O-N 3.23Å; R409-R411 VanDerWaalsContact C-N 3.26Å; R409-R411 PolarHBondContact O-N 3.3Å; R411-S414 WeakPolarHBondContact CA-OG 3.49Å; R411-S414 PolarHBondContact O-OG 3.34Å
412	A	59.1	Low	61.9	Low	84 Å²	84	124.6 Å²	124.6	69%	0.694	63%	0.628	S	S	*	*	H	α-helix	trans	-73.7	-33.8	175.6	0	0	0	0	0	112.1	K408 R409 S414	K408-A412 PolarHBondContact O-N 2.71Å; R409-A412 PolarHBondContact O-N 2.82Å; A412-S414 PolarHBondContact O-N 3.15Å
413	D	52.6	Low	60.5	Low	155 Å²	155	126.2 Å²	126.2	83%	0.829	64%	0.64	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.1	-5.7	-179.9	-140.6	18	0	0	0	113.6	R409	R409-D413 PolarHBondContact O-N 2.98Å
414	S	49	Very low	59	Low	85 Å²	85	127.9 Å²	127.9	59%	0.594	65%	0.651	S	S	*	*	T	Hydrogen-bonded Turn	trans	-109.2	36.5	-179.7	41	0	0	0	0	113.1	R410 R411 A412	R410-S414 PolarHBondContact O-OG 3.1Å; R411-S414 WeakPolarHBondContact CA-OG 3.49Å; R411-S414 PolarHBondContact O-OG 3.34Å; A412-S414 PolarHBondContact O-N 3.15Å
415	G	40.4	Very low	57.5	Low	50 Å²	50	129.2 Å²	129.2	52%	0.515	66%	0.661	S	S	.	*			trans	-66.3	152.9	170.2	0	0	0	0	0	113.1	F417	G415-F417 PolarHBondContact O-N 3.41Å
416	P	44.8	Very low	55.9	Low	105 Å²	105	136.6 Å²	136.6	68%	0.682	70%	0.7	S	S	*	*			trans	-71.2	125	-162.1	28.4	-33.1	0	0	0	112.5	F418	P416-F418 HydrophobicContact CB-CD2 4.47Å; P416-F418 HydrophobicContact CB-CE2 4.49Å; P416-F418 HydrophobicContact CG-CD2 4.26Å; P416-F418 HydrophobicContact CG-CE2 4.08Å; P416-F418 PolarHBondContact O-N 2.75Å
417	F	39.9	Very low	54.4	Low	212 Å²	212	143.4 Å²	143.4	93%	0.93	73%	0.727	S	S	*	*			trans	-59.9	102.5	157.4	-91.2	-94.3	0	0	0	108.1	G415	G415-F417 PolarHBondContact O-N 3.41Å
418	F	39.3	Very low	52.4	Low	191 Å²	191	143.3 Å²	143.3	84%	0.838	74%	0.742	S	S	*	*			trans	-75.5	125.7	163.1	-92.9	-88.5	0	0	0	108.5	P416	P416-F418 HydrophobicContact CB-CD2 4.47Å; P416-F418 HydrophobicContact CB-CE2 4.49Å; P416-F418 HydrophobicContact CG-CD2 4.26Å; P416-F418 HydrophobicContact CG-CE2 4.08Å; P416-F418 PolarHBondContact O-N 2.75Å
419	S	37.2	Very low	50.3	Low	185 Å²	185	145.7 Å²	145.7	100%	1.294	76%	0.764	S	S	*	*			trans	-80.3	0	175.6	-167	0	0	0	0	112.6

Retrieved 419 of 419 residues in 374.5 ms (Link to these results)

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